(2R)-2-(4-methylphenyl)sulfanyl-N-[2-[(4-nitrophenyl)amino]ethyl]propanamide

Systemtic Name: (2R)-2-(4-methylphenyl)sulfanyl-N-[2-[(4-nitrophenyl)amino]ethyl]propanamide Openeye Name: (2R)-N-[2-(4-nitroanilino)ethyl]-2-(p-tolylsulfanyl)propanamide CAS Name: (2R)-2-[(4-methylphenyl)thio]-N-[2-(4-nitroanilino)ethyl]propanamide IUPAC Name: (2R)-2-(4-methylphenyl)sulfanyl-N-[2-(4-nitroanilino)ethyl]propanamide Traditional Name: (2R)-N-[2-(4-nitroanilino)ethyl]-2-(p-tolylthio)propionamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(C)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S[C@H](C)C(=O)NCCNC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3S/c1-13-3-9-17(10-4-13)25-14(2)18(22)20-12-11-19-15-5-7-16(8-6-15)21(23)24/h3-10,14,19H,11-12H2,1-2H3,(H,20,22)/t14-/m1/s1