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

Systemtic Name: methyl 3-[3-(4,4-diphenylpiperidin-1-yl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-[3-(4,4-diphenyl-1-piperidyl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-[[3-(4,4-diphenyl-1-piperidinyl)propylamino]-oxomethyl]-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4,4-diphenylpiperidin-1-yl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3-(4,4-diphenylpiperidino)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C34H37N5O5S MolecularWeight: 627.75308

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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=CC=C4)C5=CC=C(C=C5)[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=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C34H37N5O5S/c1-24-29(31(40)44-2)30(25-14-16-28(17-15-25)39(42)43)38(33(45)36-24)32(41)35-20-9-21-37-22-18-34(19-23-37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-17,30H,9,18-23H2,1-2H3,(H,35,41)(H,36,45)