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

Systemtic Name: methyl 2-[3-cyclopropyl-4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Openeye Name: methyl 2-[3-cyclopropyl-4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoate CAS Name: 2-[3-cyclopropyl-4-methyl-5-[(3-nitroanilino)-oxomethyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-cyclopropyl-4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-sulfanylidene-1,6-dihydropyrimidin-6-yl]benzoate Traditional Name: 2-[3-cyclopropyl-4-methyl-5-[(3-nitrophenyl)carbamoyl]-2-thioxo-1,6-dihydropyrimidin-6-yl]benzoic acid methyl ester Formula: C23H22N4O5S MolecularWeight: 466.50958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=CC=CC=C3C(=O)OC)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=S)N1C2CC2)C3=CC=CC=C3C(=O)OC)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22N4O5S/c1-13-19(21(28)24-14-6-5-7-16(12-14)27(30)31)20(25-23(33)26(13)15-10-11-15)17-8-3-4-9-18(17)22(29)32-2/h3-9,12,15,20H,10-11H2,1-2H3,(H,24,28)(H,25,33)