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

Systemtic Name: 6-[3-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-[3-(1-imidazolyl)propyl]-2-(3-methoxyphenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C24H23N5O3S MolecularWeight: 461.53612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CCCN5C=CN=C5

Isomeric SMILES

COC1=CC=CC(=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CCCN5C=CN=C5

InChI

InChI=1S/C24H23N5O3S/c1-31-19-5-2-4-18(13-19)26-24-29(10-3-9-28-11-8-25-16-28)21(15-33-24)17-6-7-22-20(12-17)27-23(30)14-32-22/h2,4-8,11-13,15-16H,3,9-10,14H2,1H3,(H,27,30)