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

Systemtic Name: (E)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide Openeye Name: (E)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide CAS Name: (E)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-hexoxy-3-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-hexoxy-3-methoxy-phenyl)acrylamide Formula: C22H31N3O3S MolecularWeight: 417.56484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=CC(=O)NC2=NN=C(S2)CCCC)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C/C(=O)NC2=NN=C(S2)CCCC)OC

InChI

InChI=1S/C22H31N3O3S/c1-4-6-8-9-15-28-18-13-11-17(16-19(18)27-3)12-14-20(26)23-22-25-24-21(29-22)10-7-5-2/h11-14,16H,4-10,15H2,1-3H3,(H,23,25,26)/b14-12+