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

Systemtic Name: methyl 4-[6-methyl-5-(phenylcarbamoyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[6-methyl-5-(phenylcarbamoyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoate CAS Name: 4-[5-[anilino(oxo)methyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[6-methyl-5-(phenylcarbamoyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Traditional Name: 4-[6-methyl-5-(phenylcarbamoyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(=O)OC)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(=O)OC)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3S/c1-12-16(18(24)22-15-6-4-3-5-7-15)17(23-20(27)21-12)13-8-10-14(11-9-13)19(25)26-2/h3-11,17H,1-2H3,(H,22,24)(H2,21,23,27)