3-[4-[2-(6-azanyl-4-oxidanylidene-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]-2-ethylsulfanyl-propanamide

Systemtic Name: 3-[4-[2-(6-azanyl-4-oxidanylidene-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]-2-ethylsulfanyl-propanamide Openeye Name: 3-[4-[2-(6-amino-4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]-2-ethylsulfanyl-propanamide CAS Name: 3-[4-[2-(6-amino-4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]-2-(ethylthio)propanamide IUPAC Name: 3-[4-[2-(6-amino-4-oxo-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]-2-ethylsulfanylpropanamide Traditional Name: 3-[4-[2-(6-amino-4-keto-2H-1,3-benzoxazin-3-yl)ethoxy]phenyl]-2-(ethylthio)propionamide Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(CC1=CC=C(C=C1)OCCN2COC3=C(C2=O)C=C(C=C3)N)C(=O)N

Isomeric SMILES

CCSC(CC1=CC=C(C=C1)OCCN2COC3=C(C2=O)C=C(C=C3)N)C(=O)N

InChI

InChI=1S/C21H25N3O4S/c1-2-29-19(20(23)25)11-14-3-6-16(7-4-14)27-10-9-24-13-28-18-8-5-15(22)12-17(18)21(24)26/h3-8,12,19H,2,9-11,13,22H2,1H3,(H2,23,25)