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

Systemtic Name: 2-methylpropyl 6-[4-[(2,4-dichlorophenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[4-[(2,4-dichlorophenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(2,4-dichloroanilino)-oxomethyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[4-[(2,4-dichlorophenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(2,4-dichlorophenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C25H28Cl2N4O3S MolecularWeight: 535.48582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28Cl2N4O3S/c1-5-31-15(4)21(23(32)34-13-14(2)3)22(30-25(31)35)16-6-9-18(10-7-16)28-24(33)29-20-11-8-17(26)12-19(20)27/h6-12,14,22H,5,13H2,1-4H3,(H,30,35)(H2,28,29,33)