N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2,2-diphenyl-ethanamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2,2-diphenyl-ethanamide Openeye Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2,2-diphenyl-acetamide CAS Name: N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2,2-diphenylacetamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2,2-diphenylacetamide Traditional Name: N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2,2-diphenyl-acetamide Formula: C25H24N2O3S3 MolecularWeight: 496.66466

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3S3/c1-31-16-15-27-21-14-13-20(33(2,29)30)17-22(21)32-25(27)26-24(28)23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-14,17,23H,15-16H2,1-2H3