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

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-3-(p-tolylthio)propionamide Formula: C22H19BrN2O2S2 MolecularWeight: 487.43246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C22H19BrN2O2S2/c1-15-4-7-18(8-5-15)28-12-10-21(26)25(14-17-3-2-11-27-17)22-24-19-9-6-16(23)13-20(19)29-22/h2-9,11,13H,10,12,14H2,1H3