2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[6-(1-piperidylsulfonyl)-1,3-benzothiazol-2-yl]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[6-(1-piperidinylsulfonyl)-1,3-benzothiazol-2-yl]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-(6-piperidinosulfonyl-1,3-benzothiazol-2-yl)acetamide Formula: C21H21N5O3S3 MolecularWeight: 487.61814

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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)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C21H21N5O3S3/c27-19(13-30-20-22-15-6-2-3-7-16(15)23-20)25-21-24-17-9-8-14(12-18(17)31-21)32(28,29)26-10-4-1-5-11-26/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,22,23)(H,24,25,27)