2-(4-aminophenyl)sulfanyl-N-(2-methyl-5-nitro-phenyl)butanamide

Systemtic Name: 2-(4-aminophenyl)sulfanyl-N-(2-methyl-5-nitro-phenyl)butanamide Openeye Name: 2-(4-aminophenyl)sulfanyl-N-(2-methyl-5-nitro-phenyl)butanamide CAS Name: 2-[(4-aminophenyl)thio]-N-(2-methyl-5-nitrophenyl)butanamide IUPAC Name: 2-(4-aminophenyl)sulfanyl-N-(2-methyl-5-nitrophenyl)butanamide Traditional Name: 2-[(4-aminophenyl)thio]-N-(2-methyl-5-nitro-phenyl)butyramide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)SC2=CC=C(C=C2)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)SC2=CC=C(C=C2)N

InChI

InChI=1S/C17H19N3O3S/c1-3-16(24-14-8-5-12(18)6-9-14)17(21)19-15-10-13(20(22)23)7-4-11(15)2/h4-10,16H,3,18H2,1-2H3,(H,19,21)