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

Systemtic Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(3-methyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(3-methyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[[(3-methyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(1S,2S)-2-methylcyclohexyl]-3-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[(4-keto-3-methyl-phthalazine-1-carbonyl)amino]-3-[(1S,2S)-2-methylcyclohexyl]thiourea Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2S/c1-11-7-3-6-10-14(11)19-18(26)21-20-16(24)15-12-8-4-5-9-13(12)17(25)23(2)22-15/h4-5,8-9,11,14H,3,6-7,10H2,1-2H3,(H,20,24)(H2,19,21,26)/t11-,14-/m0/s1