N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide

Systemtic Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide Openeye Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide CAS Name: 4-methylsulfonyl-N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide IUPAC Name: N-[3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-[3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]benzamide Formula: C18H18N2O3S3 MolecularWeight: 406.54212

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CSCCN1C2=CC=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H18N2O3S3/c1-24-12-11-20-15-5-3-4-6-16(15)25-18(20)19-17(21)13-7-9-14(10-8-13)26(2,22)23/h3-10H,11-12H2,1-2H3