N-(2,6-diethylphenyl)-2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-[(2,2-diphenylethylamino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-(2,2-diphenylethylthiocarbamoyl)-1,4-diazepan-1-yl]acetamide Formula: C32H40N4OS MolecularWeight: 528.7512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)C(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H40N4OS/c1-3-25-17-11-18-26(4-2)31(25)34-30(37)24-35-19-12-20-36(22-21-35)32(38)33-23-29(27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-11,13-18,29H,3-4,12,19-24H2,1-2H3,(H,33,38)(H,34,37)