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

Systemtic Name: 6-[3-cycloheptyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-cycloheptyl-2-(4-methoxyphenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-cycloheptyl-2-(4-methoxyphenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-cycloheptyl-2-(4-methoxyphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-cycloheptyl-2-(4-methoxyphenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)C5CCCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)C5CCCCCC5

InChI

InChI=1S/C25H27N3O3S/c1-30-20-11-9-18(10-12-20)26-25-28(19-6-4-2-3-5-7-19)22(16-32-25)17-8-13-23-21(14-17)27-24(29)15-31-23/h8-14,16,19H,2-7,15H2,1H3,(H,27,29)