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

Systemtic Name: methyl 3-[3-(4-methoxycarbonyl-4-phenyl-piperidin-1-yl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-[3-(4-methoxycarbonyl-4-phenyl-1-piperidyl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-[[3-(4-methoxycarbonyl-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-methoxycarbonyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3-(4-carbomethoxy-4-phenyl-piperidino)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C30H35N5O7S MolecularWeight: 609.6932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H35N5O7S/c1-20-24(26(36)41-2)25(21-10-12-23(13-11-21)35(39)40)34(29(43)32-20)28(38)31-16-7-17-33-18-14-30(15-19-33,27(37)42-3)22-8-5-4-6-9-22/h4-6,8-13,25H,7,14-19H2,1-3H3,(H,31,38)(H,32,43)