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

Systemtic Name: (3S)-1-(4-chlorophenyl)carbonyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Openeye Name: (3S)-1-(4-chlorobenzoyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide CAS Name: (3S)-1-[(4-chlorophenyl)-oxomethyl]-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorobenzoyl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorobenzoyl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]nipecotamide Formula: C17H19ClN4O2S2 MolecularWeight: 410.94136

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN4O2S2/c1-2-25-17-21-20-16(26-17)19-14(23)12-4-3-9-22(10-12)15(24)11-5-7-13(18)8-6-11/h5-8,12H,2-4,9-10H2,1H3,(H,19,20,23)/t12-/m0/s1