6-[3-(1,3-benzodioxol-5-ylmethylideneamino)-2-methylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-(1,3-benzodioxol-5-ylmethylideneamino)-2-methylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-(1,3-benzodioxol-5-ylmethyleneamino)-2-methylimino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-(1,3-benzodioxol-5-ylmethylideneamino)-2-methylimino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(1,3-benzodioxol-5-ylmethylideneamino)-2-methylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-methylimino-3-(piperonylideneamino)-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN=C1N(C(=CS1)C2=CC3=C(C=C2)OCC(=O)N3)N=CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H16N4O4S/c1-21-20-24(22-8-12-2-4-17-18(6-12)28-11-27-17)15(10-29-20)13-3-5-16-14(7-13)23-19(25)9-26-16/h2-8,10H,9,11H2,1H3,(H,23,25)