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

Systemtic Name: 2-methylpropyl 3,4-dimethyl-6-[3-[(2-phenylcyclopropyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3,4-dimethyl-6-[3-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[3-[[oxo-(2-phenylcyclopropyl)methyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3,4-dimethyl-6-[3-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[3-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C3CC3C4=CC=CC=C4)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C3CC3C4=CC=CC=C4)C(=O)OCC(C)C

InChI

InChI=1S/C27H31N3O3S/c1-16(2)15-33-26(32)23-17(3)30(4)27(34)29-24(23)19-11-8-12-20(13-19)28-25(31)22-14-21(22)18-9-6-5-7-10-18/h5-13,16,21-22,24H,14-15H2,1-4H3,(H,28,31)(H,29,34)