(2R)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-nitrophenyl)propanamide

Systemtic Name: (2R)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(3-nitrophenyl)propanamide Openeye Name: (2R)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-(3-nitrophenyl)propanamide CAS Name: (2R)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-(3-nitrophenyl)propanamide IUPAC Name: (2R)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(3-nitrophenyl)propanamide Traditional Name: (2R)-2-[[2-keto-2-(p-toluidino)ethyl]thio]-N-(3-nitrophenyl)propionamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CS[C@H](C)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-12-6-8-14(9-7-12)19-17(22)11-26-13(2)18(23)20-15-4-3-5-16(10-15)21(24)25/h3-10,13H,11H2,1-2H3,(H,19,22)(H,20,23)/t13-/m1/s1