4-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]-N,N-diethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]-N,N-diethyl-piperazine-1-sulfonamide Openeye Name: 4-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]-N,N-diethyl-piperazine-1-sulfonamide CAS Name: 4-[4-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]-N,N-diethyl-1-piperazinesulfonamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]-N,N-diethylpiperazine-1-sulfonamide Traditional Name: 4-[4-(1,3-benzothiazol-2-ylthio)butanoyl]-N,N-diethyl-piperazine-1-sulfonamide Formula: C19H28N4O3S3 MolecularWeight: 456.64562

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H28N4O3S3/c1-3-22(4-2)29(25,26)23-13-11-21(12-14-23)18(24)10-7-15-27-19-20-16-8-5-6-9-17(16)28-19/h5-6,8-9H,3-4,7,10-15H2,1-2H3