N-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]-3-phenylsulfanyl-propanamide Openeye Name: N-[4-(2-oxochromen-3-yl)thiazol-2-yl]-3-phenylsulfanyl-propanamide CAS Name: N-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-3-(phenylthio)propanamide IUPAC Name: N-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-phenylsulfanylpropanamide Traditional Name: N-[4-(2-ketochromen-3-yl)thiazol-2-yl]-3-(phenylthio)propionamide Formula: C21H16N2O3S2 MolecularWeight: 408.49334

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NC2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NC2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H16N2O3S2/c24-19(10-11-27-15-7-2-1-3-8-15)23-21-22-17(13-28-21)16-12-14-6-4-5-9-18(14)26-20(16)25/h1-9,12-13H,10-11H2,(H,22,23,24)