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

Systemtic Name: ethyl 3-ethyl-6-[3-[(4-hexylphenyl)carbonylamino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-6-[3-[(4-hexylbenzoyl)amino]phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-[3-[[(4-hexylphenyl)-oxomethyl]amino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-6-[3-[(4-hexylbenzoyl)amino]phenyl]-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-6-[3-[(4-hexylbenzoyl)amino]phenyl]-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C29H37N3O3S MolecularWeight: 507.68738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=S)N3)CC)C)C(=O)OCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=S)N3)CC)C)C(=O)OCC

InChI

InChI=1S/C29H37N3O3S/c1-5-8-9-10-12-21-15-17-22(18-16-21)27(33)30-24-14-11-13-23(19-24)26-25(28(34)35-7-3)20(4)32(6-2)29(36)31-26/h11,13-19,26H,5-10,12H2,1-4H3,(H,30,33)(H,31,36)