2-(4-methylphenyl)sulfonyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: 2-(4-methylphenyl)sulfonyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-2-(p-tolylsulfonyl)acetamide CAS Name: 2-(4-methylphenyl)sulfonyl-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-(4-methylphenyl)sulfonyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-2-tosyl-acetamide Formula: C21H24N2O3S4 MolecularWeight: 480.68686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCSC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC(=O)NC2=CC3=C(C=C2)N=C(S3)SCCSC(C)C

InChI

InChI=1S/C21H24N2O3S4/c1-14(2)27-10-11-28-21-23-18-9-6-16(12-19(18)29-21)22-20(24)13-30(25,26)17-7-4-15(3)5-8-17/h4-9,12,14H,10-11,13H2,1-3H3,(H,22,24)