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

Systemtic Name: N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: 3-(3-keto-1,4-benzoxazin-4-yl)-N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-propionamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)CCN2C(=O)COC3=CC=CC=C32

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)CCN2C(=O)COC3=CC=CC=C32

InChI

InChI=1S/C21H23N3O4S/c1-23(13-19(25)22-15-7-3-6-10-18(15)29-2)20(26)11-12-24-16-8-4-5-9-17(16)28-14-21(24)27/h3-10H,11-14H2,1-2H3,(H,22,25)