N-[4-[[4-[(4-sulfamoylphenyl)carbamothioyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H27N5O3S2/c1-16(27)23-18-5-3-17(4-6-18)15-25-11-2-12-26(14-13-25)21(30)24-19-7-9-20(10-8-19)31(22,28)29/h3-10H,2,11-15H2,1H3,(H,23,27)(H,24,30)(H2,22,28,29)