methyl 4-[(4S)-6-methyl-5-[(3-methylphenyl)carbamoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate

Systemtic Name: methyl 4-[(4S)-6-methyl-5-[(3-methylphenyl)carbamoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[(4S)-6-methyl-5-(m-tolylcarbamoyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoate CAS Name: 4-[(4S)-6-methyl-5-[(3-methylanilino)-oxomethyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4S)-6-methyl-5-[(3-methylphenyl)carbamoyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Traditional Name: 4-[(4S)-6-methyl-5-(m-tolylcarbamoyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(NC(=S)N[C@H]2C3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C21H21N3O3S/c1-12-5-4-6-16(11-12)23-19(25)17-13(2)22-21(28)24-18(17)14-7-9-15(10-8-14)20(26)27-3/h4-11,18H,1-3H3,(H,23,25)(H2,22,24,28)/t18-/m0/s1