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

Systemtic Name: 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)-3-(1-piperidylsulfonyl)benzamide CAS Name: N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-3-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-piperidinosulfonyl-benzamide Formula: C21H22N4O3S3 MolecularWeight: 474.61938

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NN=C(S3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O3S3/c26-19(22-20-23-24-21(30-20)29-15-16-8-3-1-4-9-16)17-10-7-11-18(14-17)31(27,28)25-12-5-2-6-13-25/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H,22,23,26)