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

Systemtic Name: N-(phenylmethyl)-2-[4-[(4-sulfamoylphenyl)carbamothioyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-benzyl-2-[4-[(4-sulfamoylphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(phenylmethyl)-2-[4-[(4-sulfamoylanilino)-sulfanylidenemethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-benzyl-2-[4-[(4-sulfamoylphenyl)carbamothioyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(4-sulfamoylphenyl)thiocarbamoyl]-1,4-diazepan-1-yl]acetamide Formula: C21H27N5O3S2 MolecularWeight: 461.60078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N5O3S2/c22-31(28,29)19-9-7-18(8-10-19)24-21(30)26-12-4-11-25(13-14-26)16-20(27)23-15-17-5-2-1-3-6-17/h1-3,5-10H,4,11-16H2,(H,23,27)(H,24,30)(H2,22,28,29)