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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(3-bromanyl-4-methoxy-phenyl)-2-cyano-prop-2-enamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(3-bromo-4-methoxy-phenyl)-2-cyano-prop-2-enamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(3-bromo-4-methoxyphenyl)-2-cyano-2-propenamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(3-bromo-4-methoxyphenyl)-2-cyanoprop-2-enamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-(3-bromo-4-methoxy-phenyl)-2-cyano-acrylamide Formula: C18H12BrN3O2S MolecularWeight: 414.27578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NC3=CC=CC=C3S2)Br

InChI

InChI=1S/C18H12BrN3O2S/c1-24-15-7-6-11(9-13(15)19)8-12(10-20)17(23)22-18-21-14-4-2-3-5-16(14)25-18/h2-9H,1H3,(H,21,22,23)