(2R)-4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethanoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[2-(1-isopropylbenzimidazol-2-yl)sulfanylacetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[1-oxo-2-[(1-propan-2-yl-2-benzimidazolyl)thio]ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylacetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[2-[(1-isopropylbenzimidazol-2-yl)thio]acetyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N=C1SCC(=O)N3CC(OC4=CC=CC=C43)C(=O)N

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N=C1SCC(=O)N3C[C@@H](OC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C21H22N4O3S/c1-13(2)25-15-8-4-3-7-14(15)23-21(25)29-12-19(26)24-11-18(20(22)27)28-17-10-6-5-9-16(17)24/h3-10,13,18H,11-12H2,1-2H3,(H2,22,27)/t18-/m1/s1