4-(3-butoxyphenyl)-5-(methylamino)-2-phenyl-thiophen-3-one

Systemtic Name: 4-(3-butoxyphenyl)-5-(methylamino)-2-phenyl-thiophen-3-one Openeye Name: 4-(3-butoxyphenyl)-5-(methylamino)-2-phenyl-thiophen-3-one CAS Name: 4-(3-butoxyphenyl)-5-(methylamino)-2-phenyl-3-thiophenone IUPAC Name: 4-(3-butoxyphenyl)-5-(methylamino)-2-phenylthiophen-3-one Traditional Name: 4-(3-butoxyphenyl)-5-(methylamino)-2-phenyl-thiophen-3-one Formula: C21H23NO2S MolecularWeight: 353.47782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=C(SC(C2=O)C3=CC=CC=C3)NC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=C(SC(C2=O)C3=CC=CC=C3)NC

InChI

InChI=1S/C21H23NO2S/c1-3-4-13-24-17-12-8-11-16(14-17)18-19(23)20(25-21(18)22-2)15-9-6-5-7-10-15/h5-12,14,20,22H,3-4,13H2,1-2H3