(2R)-4-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[2-[2-(methylthio)anilino]-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[2-(2-methylsulfanylanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H25N3O3S/c1-3-12-22-21(26)18-13-24(16-9-5-6-10-17(16)27-18)14-20(25)23-15-8-4-7-11-19(15)28-2/h4-11,18H,3,12-14H2,1-2H3,(H,22,26)(H,23,25)/t18-/m1/s1