1-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-3-(4-phenoxyphenyl)thiourea

Systemtic Name: 1-[1,4-bis(oxidanylidene)-2,3-dihydrophthalazin-5-yl]-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(4-phenoxyphenyl)thiourea CAS Name: 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-(1,4-diketo-2,3-dihydrophthalazin-5-yl)-3-(4-phenoxyphenyl)thiourea Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NC3=CC=CC4=C3C(=O)NNC4=O

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NC3=CC=CC4=C3C(=O)NNC4=O

InChI

InChI=1S/C21H16N4O3S/c26-19-16-7-4-8-17(18(16)20(27)25-24-19)23-21(29)22-13-9-11-15(12-10-13)28-14-5-2-1-3-6-14/h1-12H,(H,24,26)(H,25,27)(H2,22,23,29)