N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-acetyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-acetyl-N-[4-[(2,5-dimethylphenyl)thio]phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-acetyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-acetyl-N-[4-[(2,5-dimethylphenyl)thio]phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3CN(C4=CC=CC=C4O3)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C3CN(C4=CC=CC=C4O3)C(=O)C

InChI

InChI=1S/C25H24N2O3S/c1-16-8-9-17(2)24(14-16)31-20-12-10-19(11-13-20)26-25(29)23-15-27(18(3)28)21-6-4-5-7-22(21)30-23/h4-14,23H,15H2,1-3H3,(H,26,29)