N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanamide

Systemtic Name: N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanamide Openeye Name: N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide CAS Name: N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide IUPAC Name: N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzoxazin-2-yl]-N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-acetamide Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)CC2C(=O)NC3=CC=CC=C3O2

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)C[C@H]2C(=O)NC3=CC=CC=C3O2

InChI

InChI=1S/C20H21N3O4S/c1-23(12-18(24)21-14-8-4-6-10-17(14)28-2)19(25)11-16-20(26)22-13-7-3-5-9-15(13)27-16/h3-10,16H,11-12H2,1-2H3,(H,21,24)(H,22,26)/t16-/m0/s1