N-ethyl-4-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: N-ethyl-4-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-N-ethyl-4-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide CAS Name: N-ethyl-4-[[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]-oxomethyl]-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-N-ethyl-4-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N-benzyl-N-ethyl-4-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazine-1-carbonyl]benzenesulfonamide Formula: C28H30N4O3S3 MolecularWeight: 566.7578

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)SC

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)SC

InChI

InChI=1S/C28H30N4O3S3/c1-3-32(20-21-7-5-4-6-8-21)38(34,35)24-12-9-22(10-13-24)27(33)30-15-17-31(18-16-30)28-29-25-14-11-23(36-2)19-26(25)37-28/h4-14,19H,3,15-18,20H2,1-2H3