ethyl 4-[[(2R)-2-(phenylmethyl)piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[(2R)-2-(phenylmethyl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[(2R)-2-benzylpiperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[(2R)-2-(phenylmethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-2-benzylpiperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[(2R)-2-benzylpiperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCCC2CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC[C@@H]2CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2S/c1-2-26-21(25)18-11-13-19(14-12-18)23-22(27)24-15-7-6-10-20(24)16-17-8-4-3-5-9-17/h3-5,8-9,11-14,20H,2,6-7,10,15-16H2,1H3,(H,23,27)/t20-/m1/s1