N-(3-methylsulfanylphenyl)-3-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-3-[(3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide Openeye Name: N-(3-methylsulfanylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide CAS Name: N-[3-(methylthio)phenyl]-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide IUPAC Name: N-(3-methylsulfanylphenyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]butanamide Traditional Name: 3-[(3-keto-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-[3-(methylthio)phenyl]butyramide Formula: C19H20N2O5S2 MolecularWeight: 420.5025

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=CC=C1)SC)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CO3

Isomeric SMILES

CC(CC(=O)NC1=CC(=CC=C1)SC)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)CO3

InChI

InChI=1S/C19H20N2O5S2/c1-12(8-18(22)20-13-4-3-5-14(9-13)27-2)28(24,25)15-6-7-16-17(10-15)26-11-19(23)21-16/h3-7,9-10,12H,8,11H2,1-2H3,(H,20,22)(H,21,23)