N-butyl-N-ethyl-4-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-butyl-N-ethyl-4-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-butyl-N-ethyl-4-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-butyl-N-ethyl-4-[[4-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-butyl-N-ethyl-4-[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-butyl-N-ethyl-4-[4-[4-(methylthio)-1,3-benzothiazol-2-yl]piperazine-1-carbonyl]benzenesulfonamide Formula: C25H32N4O3S3 MolecularWeight: 532.74158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4SC

Isomeric SMILES

CCCCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4SC

InChI

InChI=1S/C25H32N4O3S3/c1-4-6-14-29(5-2)35(31,32)20-12-10-19(11-13-20)24(30)27-15-17-28(18-16-27)25-26-23-21(33-3)8-7-9-22(23)34-25/h7-13H,4-6,14-18H2,1-3H3