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

Systemtic Name: ethyl 6-[4-[(4-hexylphenyl)carbonylamino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[4-[(4-hexylbenzoyl)amino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(4-hexylphenyl)-oxomethyl]amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(4-hexylbenzoyl)amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(4-hexylbenzoyl)amino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H35N3O3S MolecularWeight: 493.6608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O3S/c1-5-7-8-9-10-20-11-13-22(14-12-20)26(32)29-23-17-15-21(16-18-23)25-24(27(33)34-6-2)19(3)31(4)28(35)30-25/h11-18,25H,5-10H2,1-4H3,(H,29,32)(H,30,35)