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

Systemtic Name: methyl 5-methyl-2-[[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C26H28N2O3S2 MolecularWeight: 480.64212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)OC

InChI

InChI=1S/C26H28N2O3S2/c1-18-17-22(24(29)31-2)23(33-18)27-25(32)28-15-13-21(14-16-28)26(30,19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17,21,30H,13-16H2,1-2H3,(H,27,32)