4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]butanamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-4-tosyl-butyramide Formula: C19H20N2O3S3 MolecularWeight: 420.5687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3S3/c1-13-5-8-15(9-6-13)27(23,24)11-3-4-18(22)20-14-7-10-16-17(12-14)26-19(21-16)25-2/h5-10,12H,3-4,11H2,1-2H3,(H,20,22)