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

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(4-oxidanylidene-3-propyl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(4-oxo-3-propyl-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-[[oxo-(4-oxo-3-propyl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(4-oxo-3-propylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[(4-keto-3-propyl-phthalazine-1-carbonyl)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C19H27N6O3S+ MolecularWeight: 419.52108

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C19H26N6O3S/c1-2-8-25-18(27)15-6-4-3-5-14(15)16(23-25)17(26)21-22-19(29)20-7-9-24-10-12-28-13-11-24/h3-6H,2,7-13H2,1H3,(H,21,26)(H2,20,22,29)/p+1