ethyl 4-[(1-methylpiperidin-4-yl)carbamothioylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CCN(CC2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2CCN(CC2)C

InChI

InChI=1S/C16H23N3O2S/c1-3-21-15(20)12-4-6-13(7-5-12)17-16(22)18-14-8-10-19(2)11-9-14/h4-7,14H,3,8-11H2,1-2H3,(H2,17,18,22)