3-[2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-[6-bromanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-(6-bromo-3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-[[6-bromo-3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[6-bromo-3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-[(6-bromo-3-isobutyl-4-keto-quinazolin-2-yl)thio]ethyl]-1,3-benzoxazol-2-one Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=CC(=C2)Br)N=C1SCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H20BrN3O3S/c1-13(2)12-25-19(26)15-11-14(22)7-8-16(15)23-20(25)29-10-9-24-17-5-3-4-6-18(17)28-21(24)27/h3-8,11,13H,9-10,12H2,1-2H3