4-methyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-methyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-(1-piperidylsulfonyl)benzamide CAS Name: 4-methyl-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-4-methyl-3-piperidinosulfonyl-benzamide Formula: C22H24N4O3S3 MolecularWeight: 488.64596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)S(=O)(=O)N4CCCCC4

InChI

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