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

Systemtic Name: methyl 4-[5-[(4-methylphenyl)carbamoyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[6-phenyl-5-(p-tolylcarbamoyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoate CAS Name: 4-[5-[(4-methylanilino)-oxomethyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(4-methylphenyl)carbamoyl]-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Traditional Name: 4-[6-phenyl-5-(p-tolylcarbamoyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester Formula: C26H23N3O3S MolecularWeight: 457.54412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2C3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O3S/c1-16-8-14-20(15-9-16)27-24(30)21-22(17-6-4-3-5-7-17)28-26(33)29-23(21)18-10-12-19(13-11-18)25(31)32-2/h3-15,23H,1-2H3,(H,27,30)(H2,28,29,33)