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

Systemtic Name: methyl 3-[3-(4-ethoxycarbonyl-4-phenyl-piperidin-1-yl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-[3-(4-ethoxycarbonyl-4-phenyl-1-piperidyl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylate CAS Name: 3-[[3-(4-ethoxycarbonyl-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-ethoxycarbonyl-4-phenylpiperidin-1-yl)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 3-[3-(4-carbethoxy-4-phenyl-piperidino)propylcarbamoyl]-6-methyl-4-(4-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C31H37N5O7S MolecularWeight: 623.71978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CCCNC(=O)N2C(C(=C(NC2=S)C)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CCCNC(=O)N2C(C(=C(NC2=S)C)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C31H37N5O7S/c1-4-43-28(38)31(23-9-6-5-7-10-23)15-19-34(20-16-31)18-8-17-32-29(39)35-26(22-11-13-24(14-12-22)36(40)41)25(27(37)42-3)21(2)33-30(35)44/h5-7,9-14,26H,4,8,15-20H2,1-3H3,(H,32,39)(H,33,44)