(E)-3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(4-methoxyphenyl)but-2-enamide

Systemtic Name: (E)-3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(4-methoxyphenyl)but-2-enamide Openeye Name: (E)-N-(4-methoxyphenyl)-3-(thiochroman-4-ylamino)but-2-enamide CAS Name: (E)-3-(3,4-dihydro-2H-1-benzothiopyran-4-ylamino)-N-(4-methoxyphenyl)-2-butenamide IUPAC Name: (E)-3-(3,4-dihydro-2H-thiochromen-4-ylamino)-N-(4-methoxyphenyl)but-2-enamide Traditional Name: (E)-N-(4-methoxyphenyl)-3-(thiochroman-4-ylamino)but-2-enamide Formula: C20H22N2O2S MolecularWeight: 354.46588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=C(C=C1)OC)NC2CCSC3=CC=CC=C23

Isomeric SMILES

C/C(=C\C(=O)NC1=CC=C(C=C1)OC)/NC2CCSC3=CC=CC=C23

InChI

InChI=1S/C20H22N2O2S/c1-14(13-20(23)22-15-7-9-16(24-2)10-8-15)21-18-11-12-25-19-6-4-3-5-17(18)19/h3-10,13,18,21H,11-12H2,1-2H3,(H,22,23)/b14-13+