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

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C20H27N5O2S MolecularWeight: 401.52568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O2S/c1-12(2)25-19(27)15-10-6-5-9-14(15)17(24-25)18(26)22-23-20(28)21-16-11-7-4-8-13(16)3/h5-6,9-10,12-13,16H,4,7-8,11H2,1-3H3,(H,22,26)(H2,21,23,28)/t13-,16-/m0/s1