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

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-bromo-5-methoxy-phenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acrylamide Formula: C23H24BrN3O3S MolecularWeight: 502.42396

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)/C=C/C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H24BrN3O3S/c1-3-4-10-21-26-27-23(31-21)25-20(28)12-11-17-13-18(24)22(19(14-17)29-2)30-15-16-8-6-5-7-9-16/h5-9,11-14H,3-4,10,15H2,1-2H3,(H,25,27,28)/b12-11+