ethyl 4-[[(2R,6R)-2,6-dimethylpiperidin-1-yl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[(2R,6R)-2,6-dimethylpiperidin-1-yl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[(2R,6R)-2,6-dimethyl-1-piperidyl]carbamothioylamino]benzoate CAS Name: 4-[[[[(2R,6R)-2,6-dimethyl-1-piperidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2R,6R)-2,6-dimethylpiperidin-1-yl]carbamothioylamino]benzoate Traditional Name: 4-[[(2R,6R)-2,6-dimethylpiperidino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2C(CCCC2C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NN2[C@@H](CCC[C@H]2C)C

InChI

InChI=1S/C17H25N3O2S/c1-4-22-16(21)14-8-10-15(11-9-14)18-17(23)19-20-12(2)6-5-7-13(20)3/h8-13H,4-7H2,1-3H3,(H2,18,19,23)/t12-,13-/m1/s1