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

Systemtic Name: ethyl 4-[[(3S)-3-aminocarbonylpiperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[(3S)-3-carbamoylpiperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[(3S)-3-carbamoyl-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(3S)-3-carbamoylpiperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[(3S)-3-carbamoylpiperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O3S/c1-2-22-15(21)11-5-7-13(8-6-11)18-16(23)19-9-3-4-12(10-19)14(17)20/h5-8,12H,2-4,9-10H2,1H3,(H2,17,20)(H,18,23)/t12-/m0/s1