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

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-[4-[(4-benzyloxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]-N-(2-chlorophenyl)acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(4-phenylmethoxyanilino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide Traditional Name: 2-[4-[(4-benzoxyphenyl)thiocarbamoyl]-1,4-diazepan-1-yl]-N-(2-chlorophenyl)acetamide Formula: C27H29ClN4O2S MolecularWeight: 509.06276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C27H29ClN4O2S/c28-24-9-4-5-10-25(24)30-26(33)19-31-15-6-16-32(18-17-31)27(35)29-22-11-13-23(14-12-22)34-20-21-7-2-1-3-8-21/h1-5,7-14H,6,15-20H2,(H,29,35)(H,30,33)