methyl 2-[2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-(4-methylpiperidine-1-carbothioyl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methylpiperidine-1-carbothioyl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(4-methylpiperidine-1-carbothioyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C17H22N2O3S2 MolecularWeight: 366.49818

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)SCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC1CCN(CC1)C(=S)SCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C17H22N2O3S2/c1-12-7-9-19(10-8-12)17(23)24-11-15(20)18-14-6-4-3-5-13(14)16(21)22-2/h3-6,12H,7-11H2,1-2H3,(H,18,20)