N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-iodanyl-benzamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-iodanyl-benzamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-2-iodo-benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-2-iodobenzamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-iodobenzamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-2-iodo-benzamide Formula: C21H17IN2O2S MolecularWeight: 488.34135

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=CC=C4I)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CC3=CC=CO3)C(=O)C4=CC=CC=C4I)C

InChI

InChI=1S/C21H17IN2O2S/c1-13-10-14(2)19-18(11-13)27-21(23-19)24(12-15-6-5-9-26-15)20(25)16-7-3-4-8-17(16)22/h3-11H,12H2,1-2H3