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4-Methoxy-N-{[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0(2,7)]trideca-2,4-dien-11-yl]methanethioyl}benzamide
SpectraBase Compound ID 6Zv4cKbs6rh
InChI InChI=1S/C20H21N3O3S/c1-26-16-7-5-14(6-8-16)19(25)21-20(27)22-10-13-9-15(12-22)17-3-2-4-18(24)23(17)11-13/h2-8,13,15H,9-12H2,1H3,(H,21,25,27)/t13-,15+/m0/s1
InChIKey WDBPBHIDKXMEII-DZGCQCFKSA-N
Mol Weight 383.47 g/mol
Molecular Formula C20H21N3O3S
Exact Mass 383.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MWvmE5hz5U
Name 4-Methoxy-N-{[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.0(2,7)]trideca-2,4-dien-11-yl]methanethioyl}benzamide
Alternate Name(s) Benzamide, 4-methoxy-N-[(4-oxo-3,11-diazatricyclo[7.3.1.0(3,8)]trideca-5,7-dien-11-yl)carbonothioyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N3O3S
InChI InChI=1S/C20H21N3O3S/c1-26-16-7-5-14(6-8-16)19(25)21-20(27)22-10-13-9-15(12-22)17-3-2-4-18(24)23(17)11-13/h2-8,13,15H,9-12H2,1H3,(H,21,25,27)/t13-,15+/m0/s1
InChIKey WDBPBHIDKXMEII-DZGCQCFKSA-N
Molecular Weight 383.466 g/mol
SMILES N(C(=S)N1C[C@@]2(C3=CC=CC(N3C[C@@](C2)(C1)[H])=O)[H])C(=O)c1ccc(OC)cc1
SPLASH splash10-000l-7900000000-cba6495ff9c0a513c8f1
Source of Spectrum IY-2-5063-9
Wiley ID 1658622