N-[3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-oxo-propyl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-oxopropyl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-[4-(1,3-benzothiazol-2-yl)piperazino]-3-keto-propyl]piazthiole-4-sulfonamide Formula: C20H20N6O3S3 MolecularWeight: 488.6062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCNS(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1C2=NC3=CC=CC=C3S2)C(=O)CCNS(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C20H20N6O3S3/c27-18(8-9-21-32(28,29)17-7-3-5-15-19(17)24-31-23-15)25-10-12-26(13-11-25)20-22-14-4-1-2-6-16(14)30-20/h1-7,21H,8-13H2