4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonyl-N,N-dimethyl-piperazine-1-sulfonamide

Systemtic Name: 4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)phenyl]carbonyl-N,N-dimethyl-piperazine-1-sulfonamide Openeye Name: 4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]-N,N-dimethyl-piperazine-1-sulfonamide CAS Name: 4-[[4-[(1,3-benzothiazol-2-ylthio)methyl]phenyl]-oxomethyl]-N,N-dimethyl-1-piperazinesulfonamide IUPAC Name: 4-[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]-N,N-dimethylpiperazine-1-sulfonamide Traditional Name: 4-[4-[(1,3-benzothiazol-2-ylthio)methyl]benzoyl]-N,N-dimethyl-piperazine-1-sulfonamide Formula: C21H24N4O3S3 MolecularWeight: 476.63526

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(C)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H24N4O3S3/c1-23(2)31(27,28)25-13-11-24(12-14-25)20(26)17-9-7-16(8-10-17)15-29-21-22-18-5-3-4-6-19(18)30-21/h3-10H,11-15H2,1-2H3