methyl 4-[(1-methylpiperidin-3-yl)methylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(1-methylpiperidin-3-yl)methylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(1-methyl-3-piperidyl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(1-methyl-3-piperidinyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-methylpiperidin-3-yl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(1-methyl-3-piperidyl)methylthiocarbamoylamino]benzoic acid methyl ester Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-19-9-3-4-12(11-19)10-17-16(22)18-14-7-5-13(6-8-14)15(20)21-2/h5-8,12H,3-4,9-11H2,1-2H3,(H2,17,18,22)