N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-methylsulfonyl-benzamide

Systemtic Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-methylsulfonyl-benzamide Openeye Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-methylsulfonyl-benzamide CAS Name: N-[6-methyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-methylsulfonylbenzamide IUPAC Name: N-[6-methyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-methylsulfonylbenzamide Traditional Name: 2-mesyl-N-[6-methyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C19H20N2O3S3 MolecularWeight: 420.5687

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)C)S2)CCSC

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC=CC=C3S(=O)(=O)C)S2)CCSC

InChI

InChI=1S/C19H20N2O3S3/c1-13-8-9-15-16(12-13)26-19(21(15)10-11-25-2)20-18(22)14-6-4-5-7-17(14)27(3,23)24/h4-9,12H,10-11H2,1-3H3