N-(3,4-dimethylphenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3,4-dimethylphenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(3,4-dimethylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(3,4-dimethylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(3,4-dimethylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(3,4-dimethylphenyl)-1,4-diazepane-1-carbothioamide Formula: C16H23N3OS MolecularWeight: 305.43832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3OS/c1-12-5-6-15(11-13(12)2)17-16(21)19-8-4-7-18(9-10-19)14(3)20/h5-6,11H,4,7-10H2,1-3H3,(H,17,21)