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

Systemtic Name: 2-methylpropyl 6-[4-[(4-butoxyphenyl)carbonylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[4-[(4-butoxybenzoyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(4-butoxyphenyl)-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-butoxybenzoyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(4-butoxybenzoyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C29H37N3O4S MolecularWeight: 523.68678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3C(=C(N(C(=S)N3)CC)C)C(=O)OCC(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3C(=C(N(C(=S)N3)CC)C)C(=O)OCC(C)C

InChI

InChI=1S/C29H37N3O4S/c1-6-8-17-35-24-15-11-22(12-16-24)27(33)30-23-13-9-21(10-14-23)26-25(28(34)36-18-19(3)4)20(5)32(7-2)29(37)31-26/h9-16,19,26H,6-8,17-18H2,1-5H3,(H,30,33)(H,31,37)