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

Systemtic Name: 2-methylpropyl 6-[4-[(4-ethoxyphenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[4-[(4-ethoxyphenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(4-ethoxyanilino)-oxomethyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[4-[(4-ethoxyphenyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[4-(p-phenetylcarbamoylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C27H34N4O4S MolecularWeight: 510.64826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N4O4S/c1-6-31-18(5)23(25(32)35-16-17(3)4)24(30-27(31)36)19-8-10-20(11-9-19)28-26(33)29-21-12-14-22(15-13-21)34-7-2/h8-15,17,24H,6-7,16H2,1-5H3,(H,30,36)(H2,28,29,33)