N-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]octanamide

Systemtic Name: N-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]octanamide Openeye Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]octanamide CAS Name: N-[[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]octanamide Traditional Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]thiocarbamoyl]caprylamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C23H31N3O3S2/c1-3-4-5-6-10-13-22(27)25-23(30)24-20-14-16-21(17-15-20)31(28,29)26(2)18-19-11-8-7-9-12-19/h7-9,11-12,14-17H,3-6,10,13,18H2,1-2H3,(H2,24,25,27,30)