methyl 2-[[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 2-[[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 2-[[[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 2-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C27H28N2O3S MolecularWeight: 460.58782

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C27H28N2O3S/c1-32-25(30)23-14-8-9-15-24(23)28-26(33)29-18-16-22(17-19-29)27(31,20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,22,31H,16-19H2,1H3,(H,28,33)