(3S)-1-(4-chlorophenyl)carbonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorobenzoyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)nipecotamide Formula: C17H19ClN4O2S MolecularWeight: 378.87636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN4O2S/c1-2-14-20-21-17(25-14)19-15(23)12-4-3-9-22(10-12)16(24)11-5-7-13(18)8-6-11/h5-8,12H,2-4,9-10H2,1H3,(H,19,21,23)/t12-/m0/s1