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

Systemtic Name: ethyl 3-ethyl-4-methyl-6-[3-[(4-nitrophenyl)carbonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-methyl-6-[3-[(4-nitrobenzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[3-[[(4-nitrophenyl)-oxomethyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-methyl-6-[3-[(4-nitrobenzoyl)amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[3-[(4-nitrobenzoyl)amino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H24N4O5S MolecularWeight: 468.52546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O5S/c1-4-26-14(3)19(22(29)32-5-2)20(25-23(26)33)16-7-6-8-17(13-16)24-21(28)15-9-11-18(12-10-15)27(30)31/h6-13,20H,4-5H2,1-3H3,(H,24,28)(H,25,33)