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

Systemtic Name: 6-[3-cycloheptyl-2-(2-methoxyphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-cycloheptyl-2-(2-methoxyphenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-cycloheptyl-2-(2-methoxyphenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-cycloheptyl-2-(2-methoxyphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-cycloheptyl-2-(2-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=CC=C1N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)C5CCCCCC5

Isomeric SMILES

COC1=CC=CC=C1N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)C5CCCCCC5

InChI

InChI=1S/C25H27N3O3S/c1-30-22-11-7-6-10-19(22)27-25-28(18-8-4-2-3-5-9-18)21(16-32-25)17-12-13-23-20(14-17)26-24(29)15-31-23/h6-7,10-14,16,18H,2-5,8-9,15H2,1H3,(H,26,29)