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

Systemtic Name: N-[5-[(phenylmethylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[5-(benzylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: 1-[oxo(thiophen-2-yl)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-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[5-[(benzylthio)methyl]-1,3,4-thiadiazol-2-yl]-1-(2-thenoyl)isonipecotamide Formula: C21H22N4O2S3 MolecularWeight: 458.61998

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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=CS4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NN=C(S2)CSCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N4O2S3/c26-19(16-8-10-25(11-9-16)20(27)17-7-4-12-29-17)22-21-24-23-18(30-21)14-28-13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2,(H,22,24,26)