ethyl 4-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-(1-piperidylmethyl)phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-(piperidinomethyl)phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3

InChI

InChI=1S/C22H27N3O2S/c1-2-27-21(26)18-8-12-20(13-9-18)24-22(28)23-19-10-6-17(7-11-19)16-25-14-4-3-5-15-25/h6-13H,2-5,14-16H2,1H3,(H2,23,24,28)