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

Systemtic Name: diethyl 2-[2-(carbamothioylamino)ethylsulfanylmethyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-[2-(carbamothioylamino)ethylsulfanylmethyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-[[2-(carbamothioylamino)ethylthio]methyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[2-(carbamothioylamino)ethylsulfanylmethyl]-6-methyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-4-phenyl-6-[(2-thioureidoethylthio)methyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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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)N)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S2/c1-4-28-20(26)17-14(3)25-16(13-31-12-11-24-22(23)30)19(21(27)29-5-2)18(17)15-9-7-6-8-10-15/h6-10,18,25H,4-5,11-13H2,1-3H3,(H3,23,24,30)