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

Systemtic Name: 6-[3-(3-imidazol-1-ylpropyl)-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-(3-imidazol-1-ylpropyl)-2-(4-phenoxyphenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-[3-(1-imidazolyl)propyl]-2-(4-phenoxyphenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(3-imidazol-1-ylpropyl)-2-(4-phenoxyphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-(3-imidazol-1-ylpropyl)-2-(4-phenoxyphenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C29H25N5O3S MolecularWeight: 523.6055

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C3=CSC(=NC4=CC=C(C=C4)OC5=CC=CC=C5)N3CCCN6C=CN=C6

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C3=CSC(=NC4=CC=C(C=C4)OC5=CC=CC=C5)N3CCCN6C=CN=C6

InChI

InChI=1S/C29H25N5O3S/c35-28-18-36-27-12-7-21(17-25(27)32-28)26-19-38-29(34(26)15-4-14-33-16-13-30-20-33)31-22-8-10-24(11-9-22)37-23-5-2-1-3-6-23/h1-3,5-13,16-17,19-20H,4,14-15,18H2,(H,32,35)