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

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-bromo-5-methoxy-phenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acrylamide Formula: C22H22BrN3O3S MolecularWeight: 488.39738

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)C=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)/C=C/C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C22H22BrN3O3S/c1-3-7-20-25-26-22(30-20)24-19(27)11-10-16-12-17(23)21(18(13-16)28-2)29-14-15-8-5-4-6-9-15/h4-6,8-13H,3,7,14H2,1-2H3,(H,24,26,27)/b11-10+