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

Systemtic Name: methyl 4-[5-[(4-chlorophenyl)carbamoyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Openeye Name: methyl 4-[5-[(4-chlorophenyl)carbamoyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoate CAS Name: 4-[5-[(4-chloroanilino)-oxomethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-[(4-chlorophenyl)carbamoyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-4-yl]benzoate Traditional Name: 4-[5-[(4-chlorophenyl)carbamoyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidin-4-yl]benzoic acid methyl ester Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O3S/c1-11-16(18(25)23-15-9-7-14(21)8-10-15)17(24-20(28)22-11)12-3-5-13(6-4-12)19(26)27-2/h3-10,17H,1-2H3,(H,23,25)(H2,22,24,28)