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

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-methylsulfonyl-benzamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-methylsulfonyl-benzamide CAS Name: 3-methylsulfonyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-3-methylsulfonylbenzamide Traditional Name: 3-mesyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C16H14N2O3S3 MolecularWeight: 378.48896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S3/c1-22-16-18-13-7-6-11(9-14(13)23-16)17-15(19)10-4-3-5-12(8-10)24(2,20)21/h3-9H,1-2H3,(H,17,19)