1-(2-dimethylaminoethyl)-3-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]thiourea

Systemtic Name: 1-(2-dimethylaminoethyl)-3-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]thiourea Openeye Name: 1-(2-dimethylaminoethyl)-3-[(3-isopentyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-(2-dimethylaminoethyl)-3-[[[3-(3-methylbutyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(2-dimethylaminoethyl)-3-[[3-(3-methylbutyl)-4-oxophthalazine-1-carbonyl]amino]thiourea Traditional Name: 1-(2-dimethylaminoethyl)-3-[(3-isoamyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C19H28N6O2S MolecularWeight: 404.52962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCN(C)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NCCN(C)C

InChI

InChI=1S/C19H28N6O2S/c1-13(2)9-11-25-18(27)15-8-6-5-7-14(15)16(23-25)17(26)21-22-19(28)20-10-12-24(3)4/h5-8,13H,9-12H2,1-4H3,(H,21,26)(H2,20,22,28)