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

Systemtic Name: 1-(3-methylbutyl)-3-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]thiourea Openeye Name: 1-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]-3-isopentyl-thiourea CAS Name: 1-(3-methylbutyl)-3-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(3-methylbutyl)-3-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]thiourea Traditional Name: 1-isoamyl-3-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C19H27N5O2S MolecularWeight: 389.51498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(C)C

Isomeric SMILES

CC(C)CCNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(C)C

InChI

InChI=1S/C19H27N5O2S/c1-12(2)9-10-20-19(27)22-21-17(25)16-14-7-5-6-8-15(14)18(26)24(23-16)11-13(3)4/h5-8,12-13H,9-11H2,1-4H3,(H,21,25)(H2,20,22,27)