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

Systemtic Name: 1-cyclohexyl-3-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]thiourea Openeye Name: 1-cyclohexyl-3-[(3-isopentyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-cyclohexyl-3-[[[3-(3-methylbutyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-cyclohexyl-3-[[3-(3-methylbutyl)-4-oxophthalazine-1-carbonyl]amino]thiourea Traditional Name: 1-cyclohexyl-3-[(3-isoamyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C21H29N5O2S MolecularWeight: 415.55226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3CCCCC3

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=S)NC3CCCCC3

InChI

InChI=1S/C21H29N5O2S/c1-14(2)12-13-26-20(28)17-11-7-6-10-16(17)18(25-26)19(27)23-24-21(29)22-15-8-4-3-5-9-15/h6-7,10-11,14-15H,3-5,8-9,12-13H2,1-2H3,(H,23,27)(H2,22,24,29)