1-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea

Systemtic Name: 1-[[3-(3-methylbutyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Openeye Name: 1-[(3-isopentyl-4-oxo-phthalazine-1-carbonyl)amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea CAS Name: 1-[[[3-(3-methylbutyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea IUPAC Name: 1-[[3-(3-methylbutyl)-4-oxophthalazine-1-carbonyl]amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Traditional Name: 1-[(3-isoamyl-4-keto-phthalazine-1-carbonyl)amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCC(C)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCC(C)C

InChI

InChI=1S/C22H31N5O2S/c1-14(2)12-13-27-21(29)17-10-6-5-9-16(17)19(26-27)20(28)24-25-22(30)23-18-11-7-4-8-15(18)3/h5-6,9-10,14-15,18H,4,7-8,11-13H2,1-3H3,(H,24,28)(H2,23,25,30)/t15-,18-/m0/s1