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

Systemtic Name: diethyl 2-[5-(carbamothioylamino)pentylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[5-(carbamothioylamino)pentylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[5-(carbamothioylamino)pentylthio]methyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[5-(carbamothioylamino)pentylsulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-(3-nitrophenyl)-6-[(5-thioureidopentylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C25H34N4O6S2 MolecularWeight: 550.69066

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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)N)C

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O6S2/c1-4-34-23(30)20-16(3)28-19(15-37-13-8-6-7-12-27-25(26)36)22(24(31)35-5-2)21(20)17-10-9-11-18(14-17)29(32)33/h9-11,14,21,28H,4-8,12-13,15H2,1-3H3,(H3,26,27,36)