1-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C18H25N6O3S+ MolecularWeight: 405.4945

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C18H24N6O3S/c1-2-24-17(26)14-6-4-3-5-13(14)15(22-24)16(25)20-21-18(28)19-7-8-23-9-11-27-12-10-23/h3-6H,2,7-12H2,1H3,(H,20,25)(H2,19,21,28)/p+1