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

Systemtic Name: 2-methylpropyl 6-[4-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[4-[(3-chloro-4-methyl-phenyl)carbamoylamino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(3-chloro-4-methylanilino)-oxomethyl]amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[4-[(3-chloro-4-methylphenyl)carbamoylamino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(3-chloro-4-methyl-phenyl)carbamoylamino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C25H29ClN4O3S MolecularWeight: 501.04076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCC(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCC(C)C)Cl

InChI

InChI=1S/C25H29ClN4O3S/c1-14(2)13-33-23(31)21-16(4)30(5)25(34)29-22(21)17-7-10-18(11-8-17)27-24(32)28-19-9-6-15(3)20(26)12-19/h6-12,14,22H,13H2,1-5H3,(H,29,34)(H2,27,28,32)