4-(1,3-benzothiazol-2-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2-thienylsulfonyl)piperazino]butan-1-one Formula: C19H21N3O3S3 MolecularWeight: 435.58334

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H21N3O3S3/c23-18(8-3-7-17-20-15-5-1-2-6-16(15)27-17)21-10-12-22(13-11-21)28(24,25)19-9-4-14-26-19/h1-2,4-6,9,14H,3,7-8,10-13H2