N-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]-3-phenyl-propanamide

Systemtic Name: N-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[4-[benzyl(methyl)sulfamoyl]phenyl]thiocarbamoyl]-3-phenyl-propionamide Formula: C24H25N3O3S2 MolecularWeight: 467.6036

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O3S2/c1-27(18-20-10-6-3-7-11-20)32(29,30)22-15-13-21(14-16-22)25-24(31)26-23(28)17-12-19-8-4-2-5-9-19/h2-11,13-16H,12,17-18H2,1H3,(H2,25,26,28,31)