N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-(phenylsulfonyl)piperidine-4-carboxamide Openeye Name: 1-(benzenesulfonyl)-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide CAS Name: 1-(benzenesulfonyl)-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-piperidinecarboxamide IUPAC Name: 1-(benzenesulfonyl)-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide Traditional Name: 1-besyl-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]isonipecotamide Formula: C22H24N4O3S3 MolecularWeight: 488.64596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NN=C(S2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S3/c1-16-7-9-17(10-8-16)15-30-22-25-24-21(31-22)23-20(27)18-11-13-26(14-12-18)32(28,29)19-5-3-2-4-6-19/h2-10,18H,11-15H2,1H3,(H,23,24,27)