methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]carbothioylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[[3-(hydroxymethyl)piperidin-1-yl]carbothioylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[[3-(hydroxymethyl)piperidine-1-carbothioyl]amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[[3-(hydroxymethyl)-1-piperidinyl]-sulfanylidenemethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[[3-(hydroxymethyl)piperidine-1-carbothioyl]amino]-4,5-dimethoxybenzoate Traditional Name: 4,5-dimethoxy-2-[(3-methylolpiperidine-1-carbothioyl)amino]benzoic acid methyl ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCCC(C2)CO)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=S)N2CCCC(C2)CO)OC

InChI

InChI=1S/C17H24N2O5S/c1-22-14-7-12(16(21)24-3)13(8-15(14)23-2)18-17(25)19-6-4-5-11(9-19)10-20/h7-8,11,20H,4-6,9-10H2,1-3H3,(H,18,25)