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

Systemtic Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-[3-(phenylcarbonylcarbamothioylamino)propylsulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[3-(benzoylcarbamothioylamino)propylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[3-[[benzamido(sulfanylidene)methyl]amino]propylthio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[3-(benzoylcarbamothioylamino)propylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[3-(benzoylthiocarbamoylamino)propylthio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C30H34N4O7S2 MolecularWeight: 626.74356

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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)CSCCCNC(=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)CSCCCNC(=S)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C30H34N4O7S2/c1-4-40-28(36)24-19(3)32-23(18-43-16-10-15-31-30(42)33-27(35)20-11-7-6-8-12-20)26(29(37)41-5-2)25(24)21-13-9-14-22(17-21)34(38)39/h6-9,11-14,17,25,32H,4-5,10,15-16,18H2,1-3H3,(H2,31,33,35,42)