1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]thiourea

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]thiourea Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiourea CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]thiourea IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]thiourea Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(1-ketophthalazin-2-yl)acetyl]amino]thiourea Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=S)NNC(=O)CN3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=S)NNC(=O)CN3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C19H17N5O4S/c25-17(11-24-18(26)14-4-2-1-3-12(14)10-20-24)22-23-19(29)21-13-5-6-15-16(9-13)28-8-7-27-15/h1-6,9-10H,7-8,11H2,(H,22,25)(H2,21,23,29)