ethyl 4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[(3S,5R)-3,5-dimethylpiperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[(3S,5R)-3,5-dimethyl-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3S,5R)-3,5-dimethylpiperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[(3S,5R)-3,5-dimethylpiperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CC(CC(C2)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2C[C@@H](C[C@@H](C2)C)C

InChI

InChI=1S/C17H24N2O2S/c1-4-21-16(20)14-5-7-15(8-6-14)18-17(22)19-10-12(2)9-13(3)11-19/h5-8,12-13H,4,9-11H2,1-3H3,(H,18,22)/t12-,13+