N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanamide

Systemtic Name: N-methyl-N-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]-2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanamide Openeye Name: N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide CAS Name: N-methyl-N-[2-[2-(methylthio)anilino]-2-oxoethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide IUPAC Name: N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide Traditional Name: 2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[2-keto-2-[2-(methylthio)anilino]ethyl]-N-methyl-acetamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)CN2C(=O)CCOC3=CC=CC=C32

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1SC)C(=O)CN2C(=O)CCOC3=CC=CC=C32

InChI

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