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

Systemtic Name: 6-[2-(4-butylphenyl)imino-3-cyclohexyl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(4-butylphenyl)imino-3-cyclohexyl-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(4-butylphenyl)imino-3-cyclohexyl-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4-butylphenyl)imino-3-cyclohexyl-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(4-butylphenyl)imino-3-cyclohexyl-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)C5CCCCC5

Isomeric SMILES

CCCCC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)C5CCCCC5

InChI

InChI=1S/C27H31N3O2S/c1-2-3-7-19-10-13-21(14-11-19)28-27-30(22-8-5-4-6-9-22)24(18-33-27)20-12-15-25-23(16-20)29-26(31)17-32-25/h10-16,18,22H,2-9,17H2,1H3,(H,29,31)