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

Systemtic Name: ethyl 4-[(3-methylpiperidin-1-yl)carbothioylamino]benzoate Openeye Name: ethyl 4-[(3-methylpiperidine-1-carbothioyl)amino]benzoate CAS Name: 4-[[(3-methyl-1-piperidinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-methylpiperidine-1-carbothioyl)amino]benzoate Traditional Name: 4-[(3-methylpiperidine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C16H22N2O2S MolecularWeight: 306.42308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2S/c1-3-20-15(19)13-6-8-14(9-7-13)17-16(21)18-10-4-5-12(2)11-18/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,21)