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

Systemtic Name: ethyl 6-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(3,4-dichloroanilino)-oxomethyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H24Cl2N4O3S MolecularWeight: 507.43266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24Cl2N4O3S/c1-4-29-13(3)19(21(30)32-5-2)20(28-23(29)33)14-6-8-15(9-7-14)26-22(31)27-16-10-11-17(24)18(25)12-16/h6-12,20H,4-5H2,1-3H3,(H,28,33)(H2,26,27,31)