N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanyl-ethanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanyl-ethanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-2-(4-methoxyphenyl)sulfanyl-acetamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-2-[(4-methoxyphenyl)thio]acetamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)sulfanylacetamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-2-[(4-methoxyphenyl)thio]acetamide Formula: C21H17BrN2O3S2 MolecularWeight: 489.40528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)SCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C21H17BrN2O3S2/c1-26-15-5-7-17(8-6-15)28-13-20(25)24(12-16-3-2-10-27-16)21-23-18-9-4-14(22)11-19(18)29-21/h2-11H,12-13H2,1H3