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

Systemtic Name: 2-methylpropyl 3,4-dimethyl-6-[3-[3-(4-nitrophenyl)prop-2-enoylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 3,4-dimethyl-6-[3-[3-(4-nitrophenyl)prop-2-enoylamino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[3-[[3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3,4-dimethyl-6-[3-[3-(4-nitrophenyl)prop-2-enoylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-6-[3-[[3-(4-nitrophenyl)acryloyl]amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C26H28N4O5S MolecularWeight: 508.58932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC(=CC=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC(C)C

InChI

InChI=1S/C26H28N4O5S/c1-16(2)15-35-25(32)23-17(3)29(4)26(36)28-24(23)19-6-5-7-20(14-19)27-22(31)13-10-18-8-11-21(12-9-18)30(33)34/h5-14,16,24H,15H2,1-4H3,(H,27,31)(H,28,36)