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

Systemtic Name: ethyl 6-[4-[(4-tert-butylphenyl)carbonylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O3S/c1-7-30-17(3)22(25(32)33-8-2)23(29-26(30)34)18-11-15-21(16-12-18)28-24(31)19-9-13-20(14-10-19)27(4,5)6/h9-16,23H,7-8H2,1-6H3,(H,28,31)(H,29,34)