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

Systemtic Name: 2-methylpropyl 3,4-dimethyl-6-[3-[(3-nitrophenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3,4-dimethyl-6-[3-[(3-nitrobenzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[3-[[(3-nitrophenyl)-oxomethyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3,4-dimethyl-6-[3-[(3-nitrobenzoyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[3-[(3-nitrobenzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC(C)C

InChI

InChI=1S/C24H26N4O5S/c1-14(2)13-33-23(30)20-15(3)27(4)24(34)26-21(20)16-7-5-9-18(11-16)25-22(29)17-8-6-10-19(12-17)28(31)32/h5-12,14,21H,13H2,1-4H3,(H,25,29)(H,26,34)