(E)-N-(1,3-benzothiazol-2-yl)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-yl)-3-(4-benzoxy-3-bromo-5-methoxy-phenyl)acrylamide Formula: C24H19BrN2O3S MolecularWeight: 495.38826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NC2=NC3=CC=CC=C3S2)Br)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)NC2=NC3=CC=CC=C3S2)Br)OCC4=CC=CC=C4

InChI

InChI=1S/C24H19BrN2O3S/c1-29-20-14-17(13-18(25)23(20)30-15-16-7-3-2-4-8-16)11-12-22(28)27-24-26-19-9-5-6-10-21(19)31-24/h2-14H,15H2,1H3,(H,26,27,28)/b12-11+