N-(2-chlorophenyl)-2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(2,2-diphenylethylamino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(2,2-diphenylethylthiocarbamoyl)-1,4-diazepan-1-yl]acetamide Formula: C28H31ClN4OS MolecularWeight: 507.08994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NCC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN(C1)C(=S)NCC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C28H31ClN4OS/c29-25-14-7-8-15-26(25)31-27(34)21-32-16-9-17-33(19-18-32)28(35)30-20-24(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,24H,9,16-21H2,(H,30,35)(H,31,34)