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

Systemtic Name: 6-[3-[(2-iodanylphenyl)methylideneamino]-2-propan-2-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-[(2-iodophenyl)methyleneamino]-2-isopropylimino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-[(2-iodophenyl)methylideneamino]-2-propan-2-ylimino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-[(2-iodophenyl)methylideneamino]-2-propan-2-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-[(2-iodobenzylidene)amino]-2-isopropylimino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C21H19IN4O2S MolecularWeight: 518.37063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19IN4O2S/c1-13(2)24-21-26(23-10-15-5-3-4-6-16(15)22)18(12-29-21)14-7-8-19-17(9-14)25-20(27)11-28-19/h3-10,12-13H,11H2,1-2H3,(H,25,27)