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

Systemtic Name: ethyl 4-[2-(4-methylpiperidin-1-yl)carbothioylsulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-methylpiperidine-1-carbothioyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-methylpiperidine-1-carbothioyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-methylpiperidine-1-carbothioyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C18H24N2O3S2 MolecularWeight: 380.52476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC(=S)N2CCC(CC2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC(=S)N2CCC(CC2)C

InChI

InChI=1S/C18H24N2O3S2/c1-3-23-17(22)14-4-6-15(7-5-14)19-16(21)12-25-18(24)20-10-8-13(2)9-11-20/h4-7,13H,3,8-12H2,1-2H3,(H,19,21)