(2R)-2-acetamido-N-[(4-methylphenyl)methyl]-3-(3-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2R)-2-acetamido-N-[(4-methylphenyl)methyl]-3-(3-nitrophenyl)sulfanyl-propanamide Openeye Name: (2R)-2-acetamido-3-(3-nitrophenyl)sulfanyl-N-(p-tolylmethyl)propanamide CAS Name: (2R)-2-acetamido-N-[(4-methylphenyl)methyl]-3-[(3-nitrophenyl)thio]propanamide IUPAC Name: (2R)-2-acetamido-N-[(4-methylphenyl)methyl]-3-(3-nitrophenyl)sulfanylpropanamide Traditional Name: (2R)-2-acetamido-N-(4-methylbenzyl)-3-[(3-nitrophenyl)thio]propionamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(CSC2=CC=CC(=C2)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](CSC2=CC=CC(=C2)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C19H21N3O4S/c1-13-6-8-15(9-7-13)11-20-19(24)18(21-14(2)23)12-27-17-5-3-4-16(10-17)22(25)26/h3-10,18H,11-12H2,1-2H3,(H,20,24)(H,21,23)/t18-/m0/s1