N-(4-butylphenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(4-butylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(4-butylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(4-butylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(4-butylphenyl)-1,4-diazepane-1-carbothioamide Formula: C18H27N3OS MolecularWeight: 333.49148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCCN(CC2)C(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCCN(CC2)C(=O)C

InChI

InChI=1S/C18H27N3OS/c1-3-4-6-16-7-9-17(10-8-16)19-18(23)21-12-5-11-20(13-14-21)15(2)22/h7-10H,3-6,11-14H2,1-2H3,(H,19,23)