4-[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[2-(3,4-dimethylphenyl)sulfanylpyridin-3-yl]carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[[2-[(3,4-dimethylphenyl)thio]-3-pyridinyl]-oxomethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[2-(3,4-dimethylphenyl)sulfanylpyridine-3-carbonyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[2-[(3,4-dimethylphenyl)thio]nicotinoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C23H21N3O3S MolecularWeight: 419.49614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CC(OC4=CC=CC=C43)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)N3CC(OC4=CC=CC=C43)C(=O)N)C

InChI

InChI=1S/C23H21N3O3S/c1-14-9-10-16(12-15(14)2)30-22-17(6-5-11-25-22)23(28)26-13-20(21(24)27)29-19-8-4-3-7-18(19)26/h3-12,20H,13H2,1-2H3,(H2,24,27)