O-propan-2-yl [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylmethanethioate

Systemtic Name: O-propan-2-yl [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylmethanethioate Openeye Name: O-isopropyl [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]sulfanylmethanethioate CAS Name: [[1-(4-nitroanilino)-1-oxopropan-2-yl]thio]methanethioic acid O-propan-2-yl ester IUPAC Name: O-propan-2-yl [1-(4-nitroanilino)-1-oxopropan-2-yl]sulfanylmethanethioate Traditional Name: [[2-keto-1-methyl-2-(4-nitroanilino)ethyl]thio]methanethioic acid O-isopropyl ester Formula: C13H16N2O4S2 MolecularWeight: 328.40714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=S)SC(C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=S)SC(C)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O4S2/c1-8(2)19-13(20)21-9(3)12(16)14-10-4-6-11(7-5-10)15(17)18/h4-9H,1-3H3,(H,14,16)