1-(furan-2-ylcarbonyl)-N-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide

Systemtic Name: 1-(furan-2-ylcarbonyl)-N-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide Openeye Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide CAS Name: 1-[2-furanyl(oxo)methyl]-N-[5-[(phenylmethylthio)methyl]-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[5-[(benzylthio)methyl]-1,3,4-thiadiazol-2-yl]-1-(2-furoyl)isonipecotamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H22N4O3S2/c26-19(16-8-10-25(11-9-16)20(27)17-7-4-12-28-17)22-21-24-23-18(30-21)14-29-13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2,(H,22,24,26)