6-[3-[(5-bromanyl-2-methoxy-phenyl)methylideneamino]-2-propan-2-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-[(5-bromanyl-2-methoxy-phenyl)methylideneamino]-2-propan-2-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-[(5-bromo-2-methoxy-phenyl)methyleneamino]-2-isopropylimino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-propan-2-ylimino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-[(5-bromo-2-methoxyphenyl)methylideneamino]-2-propan-2-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-[(5-bromo-2-methoxy-benzylidene)amino]-2-isopropylimino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C22H21BrN4O3S MolecularWeight: 501.39614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=CC4=C(C=CC(=C4)Br)OC

Isomeric SMILES

CC(C)N=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=CC4=C(C=CC(=C4)Br)OC

InChI

InChI=1S/C22H21BrN4O3S/c1-13(2)25-22-27(24-10-15-8-16(23)5-7-19(15)29-3)18(12-31-22)14-4-6-20-17(9-14)26-21(28)11-30-20/h4-10,12-13H,11H2,1-3H3,(H,26,28)