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

Systemtic Name: 4-(methylsulfanylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-(methylsulfanylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-[(methylthio)methyl]benzamide IUPAC Name: 4-(methylsulfanylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide Traditional Name: N-(6-mesyl-1,3-benzothiazol-2-yl)-4-[(methylthio)methyl]benzamide Formula: C17H16N2O3S3 MolecularWeight: 392.51554

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CSCC1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)S(=O)(=O)C

InChI

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