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

Systemtic Name: 2-methylpropyl 3-ethyl-4-methyl-6-[4-[(4-methyl-3-nitro-phenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3-ethyl-4-methyl-6-[4-[(4-methyl-3-nitro-benzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[4-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-ethyl-4-methyl-6-[4-[(4-methyl-3-nitrobenzoyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[4-[(4-methyl-3-nitro-benzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C26H30N4O5S MolecularWeight: 510.6052

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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)[N+](=O)[O-])C(=O)OCC(C)C)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-])C(=O)OCC(C)C)C

InChI

InChI=1S/C26H30N4O5S/c1-6-29-17(5)22(25(32)35-14-15(2)3)23(28-26(29)36)18-9-11-20(12-10-18)27-24(31)19-8-7-16(4)21(13-19)30(33)34/h7-13,15,23H,6,14H2,1-5H3,(H,27,31)(H,28,36)