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

Systemtic Name: diethyl 2-methyl-4-(3-nitrophenyl)-6-[6-(phenylcarbonylcarbamothioylamino)hexylsulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[6-(benzoylcarbamothioylamino)hexylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[6-[[benzamido(sulfanylidene)methyl]amino]hexylthio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[6-(benzoylcarbamothioylamino)hexylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[6-(benzoylthiocarbamoylamino)hexylthio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C33H40N4O7S2 MolecularWeight: 668.8233

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

InChI

InChI=1S/C33H40N4O7S2/c1-4-43-31(39)27-22(3)35-26(29(32(40)44-5-2)28(27)24-16-13-17-25(20-24)37(41)42)21-46-19-12-7-6-11-18-34-33(45)36-30(38)23-14-9-8-10-15-23/h8-10,13-17,20,28,35H,4-7,11-12,18-19,21H2,1-3H3,(H2,34,36,38,45)