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

Systemtic Name: N-phenethyl-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-[4-[(4-benzyloxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide CAS Name: N-phenethyl-2-[4-[(4-phenylmethoxyanilino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-phenethyl-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide Traditional Name: 2-[4-[(4-benzoxyphenyl)thiocarbamoyl]-1,4-diazepan-1-yl]-N-phenethyl-acetamide Formula: C29H34N4O2S MolecularWeight: 502.67086

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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)NCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C29H34N4O2S/c34-28(30-17-16-24-8-3-1-4-9-24)22-32-18-7-19-33(21-20-32)29(36)31-26-12-14-27(15-13-26)35-23-25-10-5-2-6-11-25/h1-6,8-15H,7,16-23H2,(H,30,34)(H,31,36)