methyl 6-methyl-4-(4-nitrophenyl)-3-[3-(4-phenylpiperidin-1-yl)propylcarbamoyl]-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-methyl-4-(4-nitrophenyl)-3-[3-(4-phenylpiperidin-1-yl)propylcarbamoyl]-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-methyl-4-(4-nitrophenyl)-3-[3-(4-phenyl-1-piperidyl)propylcarbamoyl]-2-thioxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-4-(4-nitrophenyl)-3-[oxo-[3-(4-phenyl-1-piperidinyl)propylamino]methyl]-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-4-(4-nitrophenyl)-3-[3-(4-phenylpiperidin-1-yl)propylcarbamoyl]-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-methyl-4-(4-nitrophenyl)-3-[3-(4-phenylpiperidino)propylcarbamoyl]-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C28H33N5O5S MolecularWeight: 551.65712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)C(=O)NCCCN2CCC(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(N(C(=S)N1)C(=O)NCCCN2CCC(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C28H33N5O5S/c1-19-24(26(34)38-2)25(22-9-11-23(12-10-22)33(36)37)32(28(39)30-19)27(35)29-15-6-16-31-17-13-21(14-18-31)20-7-4-3-5-8-20/h3-5,7-12,21,25H,6,13-18H2,1-2H3,(H,29,35)(H,30,39)