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

Systemtic Name: methyl 3,4-dimethyl-6-[3-[(4-pentylphenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3,4-dimethyl-6-[3-[(4-pentylbenzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[3-[[oxo-(4-pentylphenyl)methyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3,4-dimethyl-6-[3-[(4-pentylbenzoyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-[(4-amylbenzoyl)amino]phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C26H31N3O3S MolecularWeight: 465.60764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OC

InChI

InChI=1S/C26H31N3O3S/c1-5-6-7-9-18-12-14-19(15-13-18)24(30)27-21-11-8-10-20(16-21)23-22(25(31)32-4)17(2)29(3)26(33)28-23/h8,10-16,23H,5-7,9H2,1-4H3,(H,27,30)(H,28,33)