6-[3-butyl-2-(3-chloranyl-4-methyl-phenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-butyl-2-(3-chloranyl-4-methyl-phenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-butyl-2-(3-chloro-4-methyl-phenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-butyl-2-(3-chloro-4-methylphenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-butyl-2-(3-chloro-4-methylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-butyl-2-(3-chloro-4-methyl-phenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CSC1=NC2=CC(=C(C=C2)C)Cl)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCCCN1C(=CSC1=NC2=CC(=C(C=C2)C)Cl)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C22H22ClN3O2S/c1-3-4-9-26-19(15-6-8-20-18(10-15)25-21(27)12-28-20)13-29-22(26)24-16-7-5-14(2)17(23)11-16/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,25,27)