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

Systemtic Name: 6-[3-cyclopropyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-cyclopropyl-2-(4-ethylphenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-cyclopropyl-2-(4-ethylphenyl)imino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-cyclopropyl-2-(4-ethylphenyl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-cyclopropyl-2-(4-ethylphenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)C5CC5

Isomeric SMILES

CCC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC4=C(C=C3)OCC(=O)N4)C5CC5

InChI

InChI=1S/C22H21N3O2S/c1-2-14-3-6-16(7-4-14)23-22-25(17-8-9-17)19(13-28-22)15-5-10-20-18(11-15)24-21(26)12-27-20/h3-7,10-11,13,17H,2,8-9,12H2,1H3,(H,24,26)