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

Systemtic Name: 2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(4-benzyloxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[(4-phenylmethoxyanilino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide Traditional Name: 2-[4-[(4-benzoxyphenyl)thiocarbamoyl]-1,4-diazepan-1-yl]-N-benzyl-acetamide Formula: C28H32N4O2S MolecularWeight: 488.64428

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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)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H32N4O2S/c33-27(29-20-23-8-3-1-4-9-23)21-31-16-7-17-32(19-18-31)28(35)30-25-12-14-26(15-13-25)34-22-24-10-5-2-6-11-24/h1-6,8-15H,7,16-22H2,(H,29,33)(H,30,35)