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

Systemtic Name: diethyl 2-methyl-4-phenyl-6-[2-(phenylcarbonylcarbamothioylamino)ethylsulfanylmethyl]-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[2-(benzoylcarbamothioylamino)ethylsulfanylmethyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[2-[[benzamido(sulfanylidene)methyl]amino]ethylthio]methyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2-(benzoylcarbamothioylamino)ethylsulfanylmethyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-[[2-(benzoylthiocarbamoylamino)ethylthio]methyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C29H33N3O5S2 MolecularWeight: 567.71942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCC)CSCCNC(=S)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCC)CSCCNC(=S)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C29H33N3O5S2/c1-4-36-27(34)23-19(3)31-22(25(28(35)37-5-2)24(23)20-12-8-6-9-13-20)18-39-17-16-30-29(38)32-26(33)21-14-10-7-11-15-21/h6-15,24,31H,4-5,16-18H2,1-3H3,(H2,30,32,33,38)