[4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone

Systemtic Name: [4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone Openeye Name: [4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonyl]piperazin-1-yl]-(2-furyl)methanone CAS Name: [4-[3-(1,3-benzothiazol-2-ylthio)propylsulfonyl]-1-piperazinyl]-(2-furanyl)methanone IUPAC Name: [4-[3-(1,3-benzothiazol-2-ylsulfanyl)propylsulfonyl]piperazin-1-yl]-(furan-2-yl)methanone Traditional Name: [4-[3-(1,3-benzothiazol-2-ylthio)propylsulfonyl]piperazino]-(2-furyl)methanone Formula: C19H21N3O4S3 MolecularWeight: 451.58274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)CCCSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CO2)S(=O)(=O)CCCSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H21N3O4S3/c23-18(16-6-3-12-26-16)21-8-10-22(11-9-21)29(24,25)14-4-13-27-19-20-15-5-1-2-7-17(15)28-19/h1-3,5-7,12H,4,8-11,13-14H2