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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C22H19BrN2O3S2 MolecularWeight: 503.43186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN2O3S2/c1-27-16-5-7-18(8-6-16)29-12-10-21(26)25(14-17-3-2-11-28-17)22-24-19-9-4-15(23)13-20(19)30-22/h2-9,11,13H,10,12,14H2,1H3