6-[3-butan-2-yl-2-(4-chlorophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-butan-2-yl-2-(4-chlorophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(4-chlorophenyl)imino-3-sec-butyl-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-butan-2-yl-2-(4-chlorophenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-butan-2-yl-2-(4-chlorophenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(4-chlorophenyl)imino-3-sec-butyl-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=CSC1=NC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCC(C)N1C(=CSC1=NC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H20ClN3O2S/c1-3-13(2)25-18(12-28-21(25)23-16-7-5-15(22)6-8-16)14-4-9-19-17(10-14)24-20(26)11-27-19/h4-10,12-13H,3,11H2,1-2H3,(H,24,26)