1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one

Systemtic Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one Openeye Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one CAS Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-piperazinyl]-4-(1,3-benzothiazol-2-yl)-1-butanone IUPAC Name: 1-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazin-1-yl]-4-(1,3-benzothiazol-2-yl)butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-(4-piazthiol-4-ylsulfonylpiperazino)butan-1-one Formula: C21H21N5O3S3 MolecularWeight: 487.61814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC5=NSN=C54

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC5=NSN=C54

InChI

InChI=1S/C21H21N5O3S3/c27-20(10-4-9-19-22-15-5-1-2-7-17(15)30-19)25-11-13-26(14-12-25)32(28,29)18-8-3-6-16-21(18)24-31-23-16/h1-3,5-8H,4,9-14H2