ethyl 4-[[(3S)-3-cyanopiperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 4-[[(3S)-3-cyanopiperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[(3S)-3-cyanopiperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[(3S)-3-cyano-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-3-cyanopiperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[(3S)-3-cyanopiperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCC(C2)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC[C@@H](C2)C#N

InChI

InChI=1S/C16H19N3O2S/c1-2-21-15(20)13-5-7-14(8-6-13)18-16(22)19-9-3-4-12(10-17)11-19/h5-8,12H,2-4,9,11H2,1H3,(H,18,22)/t12-/m1/s1