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

Systemtic Name: ethyl 3-ethyl-4-methyl-6-[4-[(4-nitrophenyl)carbamoylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-methyl-6-[4-[(4-nitrophenyl)carbamoylamino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[4-[[(4-nitroanilino)-oxomethyl]amino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-methyl-6-[4-[(4-nitrophenyl)carbamoylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-6-[4-[(4-nitrophenyl)carbamoylamino]phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H25N5O5S MolecularWeight: 483.5401

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C23H25N5O5S/c1-4-27-14(3)19(21(29)33-5-2)20(26-23(27)34)15-6-8-16(9-7-15)24-22(30)25-17-10-12-18(13-11-17)28(31)32/h6-13,20H,4-5H2,1-3H3,(H,26,34)(H2,24,25,30)