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

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-(p-tolylsulfonyl)butanamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]butanamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-[6-(methylthio)-1,3-benzothiazol-2-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=NC3=C(S2)C=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCCC(=O)NC2=NC3=C(S2)C=C(C=C3)SC

InChI

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