6-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-isobutylbenzimidazol-2-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-isobutylbenzimidazol-2-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC(C)CN1C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H21N3O3S/c1-13(2)10-24-17-6-4-3-5-15(17)23-21(24)28-12-18(25)14-7-8-19-16(9-14)22-20(26)11-27-19/h3-9,13H,10-12H2,1-2H3,(H,22,26)