ethyl 4-ethyl-5-methyl-2-[[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]carbothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-2-[[[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-ethyl-2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H34N2O3S2 MolecularWeight: 522.72186

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C

InChI

InChI=1S/C29H34N2O3S2/c1-4-24-20(3)36-26(25(24)27(32)34-5-2)30-28(35)31-18-16-23(17-19-31)29(33,21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,23,33H,4-5,16-19H2,1-3H3,(H,30,35)