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

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(4-butyl-2-methyl-phenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(4-butyl-2-methylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(4-butyl-2-methylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(4-butyl-2-methyl-phenyl)-1,4-diazepane-1-carbothioamide Formula: C19H29N3OS MolecularWeight: 347.51806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3OS/c1-4-5-7-17-8-9-18(15(2)14-17)20-19(24)22-11-6-10-21(12-13-22)16(3)23/h8-9,14H,4-7,10-13H2,1-3H3,(H,20,24)