N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(methylsulfonylmethyl)benzamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(methylsulfonylmethyl)benzamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(methylsulfonylmethyl)benzamide CAS Name: 4-(methylsulfonylmethyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-4-(methylsulfonylmethyl)benzamide Traditional Name: 4-(mesylmethyl)-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C17H16N2O3S3 MolecularWeight: 392.51554

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

InChI

InChI=1S/C17H16N2O3S3/c1-23-17-19-14-8-7-13(9-15(14)24-17)18-16(20)12-5-3-11(4-6-12)10-25(2,21)22/h3-9H,10H2,1-2H3,(H,18,20)