6-[3-[(2-iodanylphenyl)methylideneamino]-2-prop-2-enylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-[(2-iodanylphenyl)methylideneamino]-2-prop-2-enylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-allylimino-3-[(2-iodophenyl)methyleneamino]thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-[(2-iodophenyl)methylideneamino]-2-prop-2-enylimino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-[(2-iodophenyl)methylideneamino]-2-prop-2-enylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-allylimino-3-[(2-iodobenzylidene)amino]-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C21H17IN4O2S MolecularWeight: 516.35475

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=CC4=CC=CC=C4I

Isomeric SMILES

C=CCN=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=CC4=CC=CC=C4I

InChI

InChI=1S/C21H17IN4O2S/c1-2-9-23-21-26(24-11-15-5-3-4-6-16(15)22)18(13-29-21)14-7-8-19-17(10-14)25-20(27)12-28-19/h2-8,10-11,13H,1,9,12H2,(H,25,27)