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

Systemtic Name: 6-[2-(2-methylphenyl)imino-3-(3-phenylpropyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(o-tolylimino)-3-(3-phenylpropyl)thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(2-methylphenyl)imino-3-(3-phenylpropyl)-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(2-methylphenyl)imino-3-(3-phenylpropyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(o-tolylimino)-3-(3-phenylpropyl)-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CCCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)CCCC5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2S/c1-19-8-5-6-12-22(19)29-27-30(15-7-11-20-9-3-2-4-10-20)24(18-33-27)21-13-14-25-23(16-21)28-26(31)17-32-25/h2-6,8-10,12-14,16,18H,7,11,15,17H2,1H3,(H,28,31)