ethyl 6-[3-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[3-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-[(3-chloro-4-methyl-phenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(3-chloro-4-methylanilino)-oxomethyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[(3-chloro-4-methylphenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(3-chloro-4-methyl-phenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H27ClN4O3S MolecularWeight: 487.01418

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)NC3=CC(=C(C=C3)C)Cl)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)NC3=CC(=C(C=C3)C)Cl)C(=O)OCC)C

InChI

InChI=1S/C24H27ClN4O3S/c1-5-29-15(4)20(22(30)32-6-2)21(28-24(29)33)16-8-7-9-17(12-16)26-23(31)27-18-11-10-14(3)19(25)13-18/h7-13,21H,5-6H2,1-4H3,(H,28,33)(H2,26,27,31)