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

Systemtic Name: 2-methylpropyl 6-[3-[(4-ethylphenyl)carbamoylamino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[3-[(4-ethylphenyl)carbamoylamino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(4-ethylanilino)-oxomethyl]amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[3-[(4-ethylphenyl)carbamoylamino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-ethylphenyl)carbamoylamino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OCC(C)C

InChI

InChI=1S/C26H32N4O3S/c1-6-18-10-12-20(13-11-18)27-25(32)28-21-9-7-8-19(14-21)23-22(24(31)33-15-16(2)3)17(4)30(5)26(34)29-23/h7-14,16,23H,6,15H2,1-5H3,(H,29,34)(H2,27,28,32)