1-(1,3-benzodioxol-5-yl)-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[[2-(1-ketophthalazin-2-yl)acetyl]amino]thiourea Formula: C18H15N5O4S MolecularWeight: 397.4078

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NNC(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NNC(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C18H15N5O4S/c24-16(9-23-17(25)13-4-2-1-3-11(13)8-19-23)21-22-18(28)20-12-5-6-14-15(7-12)27-10-26-14/h1-8H,9-10H2,(H,21,24)(H2,20,22,28)