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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=S)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1CCN(CC1)C(=S)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

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