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

Systemtic Name: N-(4-fluorophenyl)-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: 2-[4-[(4-benzyloxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[(4-phenylmethoxyanilino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[(4-phenylmethoxyphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide Traditional Name: 2-[4-[(4-benzoxyphenyl)thiocarbamoyl]-1,4-diazepan-1-yl]-N-(4-fluorophenyl)acetamide Formula: C27H29FN4O2S MolecularWeight: 492.608163

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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=C(C=C4)F

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C27H29FN4O2S/c28-22-7-9-23(10-8-22)29-26(33)19-31-15-4-16-32(18-17-31)27(35)30-24-11-13-25(14-12-24)34-20-21-5-2-1-3-6-21/h1-3,5-14H,4,15-20H2,(H,29,33)(H,30,35)