diethyl 2-methyl-4-(3-nitrophenyl)-6-[5-(phenylcarbonylcarbamothioylamino)pentylsulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-[5-(phenylcarbonylcarbamothioylamino)pentylsulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[5-(benzoylcarbamothioylamino)pentylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[5-[[benzamido(sulfanylidene)methyl]amino]pentylthio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[5-(benzoylcarbamothioylamino)pentylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[5-(benzoylthiocarbamoylamino)pentylthio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C32H38N4O7S2 MolecularWeight: 654.79672

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSCCCCCNC(=S)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)CSCCCCCNC(=S)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C32H38N4O7S2/c1-4-42-30(38)26-21(3)34-25(28(31(39)43-5-2)27(26)23-15-12-16-24(19-23)36(40)41)20-45-18-11-7-10-17-33-32(44)35-29(37)22-13-8-6-9-14-22/h6,8-9,12-16,19,27,34H,4-5,7,10-11,17-18,20H2,1-3H3,(H2,33,35,37,44)