4-ethanoyl-N-(4-methoxy-2-methyl-phenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-ethanoyl-N-(4-methoxy-2-methyl-phenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(4-methoxy-2-methyl-phenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(4-methoxy-2-methylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(4-methoxy-2-methylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(4-methoxy-2-methyl-phenyl)-1,4-diazepane-1-carbothioamide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC)NC(=S)N2CCCN(CC2)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)OC)NC(=S)N2CCCN(CC2)C(=O)C

InChI

InChI=1S/C16H23N3O2S/c1-12-11-14(21-3)5-6-15(12)17-16(22)19-8-4-7-18(9-10-19)13(2)20/h5-6,11H,4,7-10H2,1-3H3,(H,17,22)