4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N3CC(OC4=CC=CC=C43)C(=O)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)N3CC(OC4=CC=CC=C43)C(=O)N)C

InChI

InChI=1S/C22H22N4O3S/c1-14-9-15(2)11-16(10-14)25-8-7-24-22(25)30-13-20(27)26-12-19(21(23)28)29-18-6-4-3-5-17(18)26/h3-11,19H,12-13H2,1-2H3,(H2,23,28)