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

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-[(4-oxidanylidene-3-propan-2-yl-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-[(3-isopropyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-[[oxo-(4-oxo-3-propan-2-yl-1-phthalazinyl)methyl]amino]thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-[(3-isopropyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NNC(=O)C1=NN(C(=O)C2=CC=CC=C21)C(C)C

InChI

InChI=1S/C21H31N5O2S/c1-5-7-10-15(6-2)13-22-21(29)24-23-19(27)18-16-11-8-9-12-17(16)20(28)26(25-18)14(3)4/h8-9,11-12,14-15H,5-7,10,13H2,1-4H3,(H,23,27)(H2,22,24,29)/t15-/m0/s1