6-[4-[4-azanyl-3,5-bis(bromanyl)phenyl]sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one

Systemtic Name: 6-[4-[4-azanyl-3,5-bis(bromanyl)phenyl]sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Openeye Name: 6-[4-(4-amino-3,5-dibromo-phenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one CAS Name: 6-[4-[(4-amino-3,5-dibromophenyl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one IUPAC Name: 6-[4-(4-amino-3,5-dibromophenyl)sulfanylbutoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Traditional Name: 6-[4-[(4-amino-3,5-dibromo-phenyl)thio]butoxy]-4,4-dimethyl-1H-3,1-benzoxazin-2-one Formula: C20H22Br2N2O3S MolecularWeight: 530.27328

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)OCCCCSC3=CC(=C(C(=C3)Br)N)Br)NC(=O)O1)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)OCCCCSC3=CC(=C(C(=C3)Br)N)Br)NC(=O)O1)C

InChI

InChI=1S/C20H22Br2N2O3S/c1-20(2)14-9-12(5-6-17(14)24-19(25)27-20)26-7-3-4-8-28-13-10-15(21)18(23)16(22)11-13/h5-6,9-11H,3-4,7-8,23H2,1-2H3,(H,24,25)