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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C28H32N2O3S2 MolecularWeight: 508.69528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O3S2/c1-4-23-19(2)35-25(24(23)26(31)33-3)29-27(34)30-17-15-22(16-18-30)28(32,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,22,32H,4,15-18H2,1-3H3,(H,29,34)