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

Systemtic Name: N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-benzamide Openeye Name: N-(2-furylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-benzamide CAS Name: N-(2-furanylmethyl)-4-methylsulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-methylsulfonylbenzamide Traditional Name: N-(2-furfuryl)-4-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=C(C=C4)S(=O)(=O)C

Isomeric SMILES

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

InChI

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