(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-(6-butyl-1,3-benzothiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-(6-butyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-(6-butyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-(6-butyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-(6-butyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-(6-butyl-1,3-benzothiazol-2-yl)acrylamide Formula: C21H21BrN2O2S MolecularWeight: 445.37264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)C=CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)/C=C/C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H21BrN2O2S/c1-3-4-5-14-6-9-17-19(12-14)27-21(23-17)24-20(25)11-7-15-13-16(22)8-10-18(15)26-2/h6-13H,3-5H2,1-2H3,(H,23,24,25)/b11-7+