N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(3-chlorophenyl)piperidine-4-carboxamide

Systemtic Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(3-chlorophenyl)piperidine-4-carboxamide Openeye Name: 1-(3-chlorophenyl)-N-(5-sec-butylsulfanyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide CAS Name: N-[5-(butan-2-ylthio)-1,3,4-thiadiazol-2-yl]-1-(3-chlorophenyl)-4-piperidinecarboxamide IUPAC Name: N-(5-butan-2-ylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(3-chlorophenyl)piperidine-4-carboxamide Traditional Name: 1-(3-chlorophenyl)-N-[5-(sec-butylthio)-1,3,4-thiadiazol-2-yl]isonipecotamide Formula: C18H23ClN4OS2 MolecularWeight: 410.98442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SC1=NN=C(S1)NC(=O)C2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCC(C)SC1=NN=C(S1)NC(=O)C2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H23ClN4OS2/c1-3-12(2)25-18-22-21-17(26-18)20-16(24)13-7-9-23(10-8-13)15-6-4-5-14(19)11-15/h4-6,11-13H,3,7-10H2,1-2H3,(H,20,21,24)