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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[4-(2-thienylsulfonyl)piperazino]propan-1-one Formula: C18H19N3O3S3 MolecularWeight: 421.55676

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H19N3O3S3/c22-17(8-7-16-19-14-4-1-2-5-15(14)26-16)20-9-11-21(12-10-20)27(23,24)18-6-3-13-25-18/h1-6,13H,7-12H2