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

Systemtic Name: N-[4-[[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[(2,2-diphenylethylamino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-(2,2-diphenylethylthiocarbamoyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C29H34N4OS MolecularWeight: 486.67146

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H34N4OS/c1-23(34)31-27-15-13-24(14-16-27)22-32-17-8-18-33(20-19-32)29(35)30-21-28(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-16,28H,8,17-22H2,1H3,(H,30,35)(H,31,34)