N-(2,5-dimethylphenyl)-2-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfanyl]propanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfanyl]propanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfanyl]propanamide CAS Name: N-(2,5-dimethylphenyl)-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)thio]propanamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfanyl]propanamide Traditional Name: N-(2,5-dimethylphenyl)-2-[(3-keto-4H-1,4-benzoxazin-6-yl)thio]propionamide Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C)SC2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C19H20N2O3S/c1-11-4-5-12(2)15(8-11)21-19(23)13(3)25-14-6-7-17-16(9-14)20-18(22)10-24-17/h4-9,13H,10H2,1-3H3,(H,20,22)(H,21,23)