3-(3-bromanyl-4,5-dimethoxy-phenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]prop-2-enamide

Systemtic Name: 3-(3-bromanyl-4,5-dimethoxy-phenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]prop-2-enamide Openeye Name: 3-(3-bromo-4,5-dimethoxy-phenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]prop-2-enamide CAS Name: 3-(3-bromo-4,5-dimethoxyphenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-propenamide IUPAC Name: 3-(3-bromo-4,5-dimethoxyphenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]prop-2-enamide Traditional Name: 3-(3-bromo-4,5-dimethoxy-phenyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acrylamide Formula: C25H21BrN2O3S MolecularWeight: 509.41484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C=CC4=CC(=C(C(=C4)Br)OC)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C=CC4=CC(=C(C(=C4)Br)OC)OC

InChI

InChI=1S/C25H21BrN2O3S/c1-15-4-10-20-22(12-15)32-25(28-20)17-6-8-18(9-7-17)27-23(29)11-5-16-13-19(26)24(31-3)21(14-16)30-2/h4-14H,1-3H3,(H,27,29)