2-(phenylmethylsulfanyl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(phenylmethylsulfanyl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[6-(1-piperidylsulfonyl)-1,3-benzothiazol-2-yl]acetamide CAS Name: 2-(phenylmethylthio)-N-[6-(1-piperidinylsulfonyl)-1,3-benzothiazol-2-yl]acetamide IUPAC Name: 2-benzylsulfanyl-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(benzylthio)-N-(6-piperidinosulfonyl-1,3-benzothiazol-2-yl)acetamide Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CSCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S3/c25-20(15-28-14-16-7-3-1-4-8-16)23-21-22-18-10-9-17(13-19(18)29-21)30(26,27)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12,14-15H2,(H,22,23,25)