N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide Openeye Name: N-(2-furylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-benzamide CAS Name: N-(2-furanylmethyl)-2-methylsulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide Traditional Name: N-(2-furfuryl)-2-mesyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide Formula: C21H18N2O4S3 MolecularWeight: 458.57362

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C21H18N2O4S3/c1-28-16-9-5-10-17-19(16)22-21(29-17)23(13-14-7-6-12-27-14)20(24)15-8-3-4-11-18(15)30(2,25)26/h3-12H,13H2,1-2H3