N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-[3-methyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(3-methyl-6-methylsulfanyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-[3-methyl-6-(methylthio)-1,3-benzothiazol-2-ylidene]butyramide Formula: C19H20N2O3S3 MolecularWeight: 420.5687

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H20N2O3S3/c1-21-16-11-10-14(25-2)13-17(16)26-19(21)20-18(22)9-6-12-27(23,24)15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3