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

Systemtic Name: N-(4-butylphenyl)-4-methyl-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-methyl-1,4-diazepane-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-methyl-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-butylphenyl)-4-methyl-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-methyl-1,4-diazepane-1-carbothioamide Formula: C17H27N3S MolecularWeight: 305.48138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3S/c1-3-4-6-15-7-9-16(10-8-15)18-17(21)20-12-5-11-19(2)13-14-20/h7-10H,3-6,11-14H2,1-2H3,(H,18,21)