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

Systemtic Name: methyl 2-[[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C31H30N2O3S2 MolecularWeight: 542.7115

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)N3CCC(CC3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O

InChI

InChI=1S/C31H30N2O3S2/c1-36-29(34)26-21-27(22-11-5-2-6-12-22)38-28(26)32-30(37)33-19-17-25(18-20-33)31(35,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,21,25,35H,17-20H2,1H3,(H,32,37)