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

Systemtic Name: 1-(3-morpholin-4-ylpropyl)-3-[3-(4-oxidanylidene-3H-phthalazin-1-yl)phenyl]thiourea Openeye Name: 1-(3-morpholinopropyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea CAS Name: 1-[3-(4-morpholinyl)propyl]-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea IUPAC Name: 1-(3-morpholin-4-ylpropyl)-3-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]thiourea Traditional Name: 1-[3-(4-keto-3H-phthalazin-1-yl)phenyl]-3-(3-morpholinopropyl)thiourea Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5O2S/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)