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

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(2,2-diphenylethylamino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2,2-diphenylethylcarbamothioyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(2,2-diphenylethylthiocarbamoyl)-1,4-diazepan-1-yl]acetamide Formula: C30H36N4OS MolecularWeight: 500.69804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=S)NCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H36N4OS/c1-23-11-9-12-24(2)29(23)32-28(35)22-33-17-10-18-34(20-19-33)30(36)31-21-27(25-13-5-3-6-14-25)26-15-7-4-8-16-26/h3-9,11-16,27H,10,17-22H2,1-2H3,(H,31,36)(H,32,35)