4-[2-(1-hexylbenzimidazol-2-yl)sulfanylethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 4-[2-(1-hexylbenzimidazol-2-yl)sulfanylethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-[2-[(1-hexyl-2-benzimidazolyl)thio]-1-oxoethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-[2-[(1-hexylbenzimidazol-2-yl)thio]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C24H28N4O3S MolecularWeight: 452.56912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)N3CC(OC4=CC=CC=C43)C(=O)N

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)N3CC(OC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C24H28N4O3S/c1-2-3-4-9-14-27-18-11-6-5-10-17(18)26-24(27)32-16-22(29)28-15-21(23(25)30)31-20-13-8-7-12-19(20)28/h5-8,10-13,21H,2-4,9,14-16H2,1H3,(H2,25,30)