N-[(4-ethanoyl-1,4-diazepan-1-yl)carbothioyl]-4-methyl-benzamide

Systemtic Name: N-[(4-ethanoyl-1,4-diazepan-1-yl)carbothioyl]-4-methyl-benzamide Openeye Name: N-(4-acetyl-1,4-diazepane-1-carbothioyl)-4-methyl-benzamide CAS Name: N-[(4-acetyl-1,4-diazepan-1-yl)-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: N-(4-acetyl-1,4-diazepane-1-carbothioyl)-4-methylbenzamide Traditional Name: N-(4-acetyl-1,4-diazepane-1-carbothioyl)-4-methyl-benzamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O2S/c1-12-4-6-14(7-5-12)15(21)17-16(22)19-9-3-8-18(10-11-19)13(2)20/h4-7H,3,8-11H2,1-2H3,(H,17,21,22)