N-[(E)-1-(2-azanyl-1,3-thiazol-4-yl)ethylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(E)-1-(2-azanyl-1,3-thiazol-4-yl)ethylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(E)-1-(2-aminothiazol-4-yl)ethylideneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(E)-1-(2-amino-4-thiazolyl)ethylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(E)-1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(E)-1-(2-aminothiazol-4-yl)ethylideneamino]-piperonylamide Formula: C13H12N4O3S MolecularWeight: 304.32438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CSC(=N3)N

Isomeric SMILES

C/C(=N\NC(=O)C1=CC2=C(C=C1)OCO2)/C3=CSC(=N3)N

InChI

InChI=1S/C13H12N4O3S/c1-7(9-5-21-13(14)15-9)16-17-12(18)8-2-3-10-11(4-8)20-6-19-10/h2-5H,6H2,1H3,(H2,14,15)(H,17,18)/b16-7+