1-(3-morpholin-4-ylpropyl)-3-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]thiourea hydrochloride

Systemtic Name: 1-(3-morpholin-4-ylpropyl)-3-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]thiourea hydrochloride Openeye Name: 1-(3-morpholinopropyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea hydrochloride CAS Name: 1-[3-(4-morpholinyl)propyl]-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea hydrochloride IUPAC Name: 1-(3-morpholin-4-ylpropyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea hydrochloride Traditional Name: 1-[3-(4-keto-3H-phthalazin-1-yl)phenyl]-3-(3-morpholinopropyl)thiourea hydrochloride Formula: C22H26ClN5O2S MolecularWeight: 459.99214

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCNC(=S)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43.Cl

Isomeric SMILES

C1COCCN1CCCNC(=S)NC2=CC=CC(=C2)C3=NNC(=O)C4=CC=CC=C43.Cl

InChI

InChI=1S/C22H25N5O2S.ClH/c28-21-19-8-2-1-7-18(19)20(25-26-21)16-5-3-6-17(15-16)24-22(30)23-9-4-10-27-11-13-29-14-12-27;/h1-3,5-8,15H,4,9-14H2,(H,26,28)(H2,23,24,30);1H