(4-nitrophenyl) 3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamothioyl]amino]butanoate

Systemtic Name: (4-nitrophenyl) 3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamothioyl]amino]butanoate Openeye Name: (4-nitrophenyl) 3-methyl-2-[[methyl(2-pyridylmethyl)carbamothioyl]amino]butanoate CAS Name: 3-methyl-2-[[[methyl(2-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]butanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamothioyl]amino]butanoate Traditional Name: 3-methyl-2-[[methyl(2-pyridylmethyl)thiocarbamoyl]amino]butyric acid (4-nitrophenyl) ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=S)N(C)CC2=CC=CC=N2

Isomeric SMILES

CC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=S)N(C)CC2=CC=CC=N2

InChI

InChI=1S/C19H22N4O4S/c1-13(2)17(18(24)27-16-9-7-15(8-10-16)23(25)26)21-19(28)22(3)12-14-6-4-5-11-20-14/h4-11,13,17H,12H2,1-3H3,(H,21,28)