methyl 2-[3,4-dimethyl-5-[(3-nitrophenyl)carbamoyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate

Systemtic Name: methyl 2-[3,4-dimethyl-5-[(3-nitrophenyl)carbamoyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: methyl 2-[3,4-dimethyl-5-[(3-nitrophenyl)carbamoyl]-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 2-[3,4-dimethyl-5-[(3-nitroanilino)-oxomethyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[3,4-dimethyl-5-[(3-nitrophenyl)carbamoyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 2-[3,4-dimethyl-5-[(3-nitrophenyl)carbamoyl]-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C21H20N4O5S MolecularWeight: 440.4723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC=CC=C2C(=O)OC)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC=CC=C2C(=O)OC)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5S/c1-12-17(19(26)22-13-7-6-8-14(11-13)25(28)29)18(23-21(31)24(12)2)15-9-4-5-10-16(15)20(27)30-3/h4-11,18H,1-3H3,(H,22,26)(H,23,31)