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

Systemtic Name: methyl 3-[3-(4-cyano-4-phenyl-piperidin-1-yl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-[3-(4-cyano-4-phenyl-1-piperidyl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-[[3-(4-cyano-4-phenyl-1-piperidinyl)propylamino]-oxomethyl]-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-cyano-4-phenylpiperidin-1-yl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3-(4-cyano-4-phenyl-piperidino)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C29H32N6O5S MolecularWeight: 576.66658

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H32N6O5S/c1-20-24(26(36)40-2)25(21-9-11-23(12-10-21)35(38)39)34(28(41)32-20)27(37)31-15-6-16-33-17-13-29(19-30,14-18-33)22-7-4-3-5-8-22/h3-5,7-12,25H,6,13-18H2,1-2H3,(H,31,37)(H,32,41)