dimethyl 5-[(1-methylpiperidin-3-yl)methylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(1-methylpiperidin-3-yl)methylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(1-methyl-3-piperidyl)methylcarbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(1-methyl-3-piperidinyl)methylamino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(1-methylpiperidin-3-yl)methylcarbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(1-methyl-3-piperidyl)methylthiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)CNC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1CCCC(C1)CNC(=S)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H25N3O4S/c1-21-6-4-5-12(11-21)10-19-18(26)20-15-8-13(16(22)24-2)7-14(9-15)17(23)25-3/h7-9,12H,4-6,10-11H2,1-3H3,(H2,19,20,26)