N-[[3-[(E)-1-(ethylamino)-7,7-dimethyl-oct-3-en-5-ynyl]phenyl]methyl]-2-thiophen-3-yl-prop-2-enamide

Systemtic Name: N-[[3-[(E)-1-(ethylamino)-7,7-dimethyl-oct-3-en-5-ynyl]phenyl]methyl]-2-thiophen-3-yl-prop-2-enamide Openeye Name: N-[[3-[(E)-1-(ethylamino)-7,7-dimethyl-oct-3-en-5-ynyl]phenyl]methyl]-2-(3-thienyl)prop-2-enamide CAS Name: N-[[3-[(E)-1-(ethylamino)-7,7-dimethyloct-3-en-5-ynyl]phenyl]methyl]-2-(3-thiophenyl)-2-propenamide IUPAC Name: N-[[3-[(E)-1-(ethylamino)-7,7-dimethyloct-3-en-5-ynyl]phenyl]methyl]-2-thiophen-3-ylprop-2-enamide Traditional Name: N-[3-[(E)-1-(ethylamino)-7,7-dimethyl-oct-3-en-5-ynyl]benzyl]-2-(3-thienyl)acrylamide Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(CC=CC#CC(C)(C)C)C1=CC=CC(=C1)CNC(=O)C(=C)C2=CSC=C2

Isomeric SMILES

CCNC(C/C=C/C#CC(C)(C)C)C1=CC=CC(=C1)CNC(=O)C(=C)C2=CSC=C2

InChI

InChI=1S/C26H32N2OS/c1-6-27-24(13-8-7-9-15-26(3,4)5)22-12-10-11-21(17-22)18-28-25(29)20(2)23-14-16-30-19-23/h7-8,10-12,14,16-17,19,24,27H,2,6,13,18H2,1,3-5H3,(H,28,29)/b8-7+