N-(furan-2-ylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-furylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-furanylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(furan-2-ylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-furfuryl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-1,3-benzothiazole-6-carboxamide Formula: C21H15N3O4S3 MolecularWeight: 469.5565

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC5=C(C=C4)N=CS5

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)C4=CC5=C(C=C4)N=CS5

InChI

InChI=1S/C21H15N3O4S3/c1-31(26,27)18-6-2-5-16-19(18)23-21(30-16)24(11-14-4-3-9-28-14)20(25)13-7-8-15-17(10-13)29-12-22-15/h2-10,12H,11H2,1H3