ethyl 3-[[1-(phenylmethyl)piperidin-4-yl]carbamothioylamino]benzoate

Systemtic Name: ethyl 3-[[1-(phenylmethyl)piperidin-4-yl]carbamothioylamino]benzoate Openeye Name: ethyl 3-[(1-benzyl-4-piperidyl)carbamothioylamino]benzoate CAS Name: 3-[[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(1-benzylpiperidin-4-yl)carbamothioylamino]benzoate Traditional Name: 3-[(1-benzyl-4-piperidyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-2-27-21(26)18-9-6-10-20(15-18)24-22(28)23-19-11-13-25(14-12-19)16-17-7-4-3-5-8-17/h3-10,15,19H,2,11-14,16H2,1H3,(H2,23,24,28)