3-(4-aminophenyl)sulfanyl-N-(2-methyl-4-nitro-phenyl)propanamide

Systemtic Name: 3-(4-aminophenyl)sulfanyl-N-(2-methyl-4-nitro-phenyl)propanamide Openeye Name: 3-(4-aminophenyl)sulfanyl-N-(2-methyl-4-nitro-phenyl)propanamide CAS Name: 3-[(4-aminophenyl)thio]-N-(2-methyl-4-nitrophenyl)propanamide IUPAC Name: 3-(4-aminophenyl)sulfanyl-N-(2-methyl-4-nitrophenyl)propanamide Traditional Name: 3-[(4-aminophenyl)thio]-N-(2-methyl-4-nitro-phenyl)propionamide Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=CC=C(C=C2)N

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCSC2=CC=C(C=C2)N

InChI

InChI=1S/C16H17N3O3S/c1-11-10-13(19(21)22)4-7-15(11)18-16(20)8-9-23-14-5-2-12(17)3-6-14/h2-7,10H,8-9,17H2,1H3,(H,18,20)