3-(3-methoxypropyl)-1-methyl-1-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]thiourea

Systemtic Name: 3-(3-methoxypropyl)-1-methyl-1-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]thiourea Openeye Name: 1-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(3-methoxypropyl)-1-methyl-thiourea CAS Name: 3-(3-methoxypropyl)-1-methyl-1-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]thiourea IUPAC Name: 3-(3-methoxypropyl)-1-methyl-1-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]thiourea Traditional Name: 1-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]-3-(3-methoxypropyl)-1-methyl-thiourea Formula: C19H27N5O3S MolecularWeight: 405.51438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN(C)C(=S)NCCCOC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN(C)C(=S)NCCCOC

InChI

InChI=1S/C19H27N5O3S/c1-13(2)12-24-18(26)15-9-6-5-8-14(15)16(21-24)17(25)22-23(3)19(28)20-10-7-11-27-4/h5-6,8-9,13H,7,10-12H2,1-4H3,(H,20,28)(H,22,25)