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

Systemtic Name: (2R)-4-[2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC(=O)N2CC(OC3=CC=CC=C32)C(=O)N)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC(=O)N2C[C@@H](OC3=CC=CC=C32)C(=O)N)C)C

InChI

InChI=1S/C20H26N4O3S/c1-4-5-10-23-14(3)13(2)22-20(23)28-12-18(25)24-11-17(19(21)26)27-16-9-7-6-8-15(16)24/h6-9,17H,4-5,10-12H2,1-3H3,(H2,21,26)/t17-/m1/s1