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

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-[(4-oxidanylidene-3H-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-[[oxo-(4-oxo-3H-phthalazin-1-yl)methyl]amino]thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-[(4-oxo-3H-phthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-[(4-keto-3H-phthalazine-1-carbonyl)amino]thiourea Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O2S/c1-3-5-8-12(4-2)11-19-18(26)23-22-17(25)15-13-9-6-7-10-14(13)16(24)21-20-15/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,21,24)(H,22,25)(H2,19,23,26)/t12-/m0/s1