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

Systemtic Name: 6-[2-(2,6-diethylphenyl)imino-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(2,6-diethylphenyl)imino-3-(3-imidazol-1-ylpropyl)thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(2,6-diethylphenyl)imino-3-[3-(1-imidazolyl)propyl]-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(2,6-diethylphenyl)imino-3-(3-imidazol-1-ylpropyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(2,6-diethylphenyl)imino-3-(3-imidazol-1-ylpropyl)-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C27H29N5O2S MolecularWeight: 487.61646

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CCCN5C=CN=C5

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CCCN5C=CN=C5

InChI

InChI=1S/C27H29N5O2S/c1-3-19-7-5-8-20(4-2)26(19)30-27-32(13-6-12-31-14-11-28-18-31)23(17-35-27)21-9-10-24-22(15-21)29-25(33)16-34-24/h5,7-11,14-15,17-18H,3-4,6,12-13,16H2,1-2H3,(H,29,33)