2-[[2-nitro-4-[(phenylmethyl)sulfamoyl]phenyl]amino]-N-(phenylmethyl)ethanethioamide

Systemtic Name: 2-[[2-nitro-4-[(phenylmethyl)sulfamoyl]phenyl]amino]-N-(phenylmethyl)ethanethioamide Openeye Name: N-benzyl-2-[4-(benzylsulfamoyl)-2-nitro-anilino]thioacetamide CAS Name: 2-[2-nitro-4-[(phenylmethyl)sulfamoyl]anilino]-N-(phenylmethyl)ethanethioamide IUPAC Name: N-benzyl-2-[4-(benzylsulfamoyl)-2-nitroanilino]ethanethioamide Traditional Name: N-benzyl-2-[4-(benzylsulfamoyl)-2-nitro-anilino]thioacetamide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)CNC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)CNC2=C(C=C(C=C2)S(=O)(=O)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S2/c27-26(28)21-13-19(32(29,30)25-15-18-9-5-2-6-10-18)11-12-20(21)23-16-22(31)24-14-17-7-3-1-4-8-17/h1-13,23,25H,14-16H2,(H,24,31)