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

Systemtic Name: ethyl 4-[[(2R)-2-(2-acetamidoethyl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 4-[[(2R)-2-(2-acetamidoethyl)piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[[(2R)-2-(2-acetamidoethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-2-(2-acetamidoethyl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[(2R)-2-(2-acetamidoethyl)piperidine-1-carbothioyl]amino]benzoic acid ethyl ester Formula: C19H27N3O3S MolecularWeight: 377.50098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCCCC2CCNC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3S/c1-3-25-18(24)15-7-9-16(10-8-15)21-19(26)22-13-5-4-6-17(22)11-12-20-14(2)23/h7-10,17H,3-6,11-13H2,1-2H3,(H,20,23)(H,21,26)/t17-/m1/s1