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

Systemtic Name: ethyl 4-[[4-[oxidanyl(diphenyl)methyl]piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C28H30N2O3S/c1-2-33-26(31)21-13-15-25(16-14-21)29-27(34)30-19-17-24(18-20-30)28(32,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,24,32H,2,17-20H2,1H3,(H,29,34)