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

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-[(3-ethyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-[(3-ethyl-4-oxo-phthalazine-1-carbonyl)amino]thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-[[(3-ethyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-[(3-ethyl-4-keto-phthalazine-1-carbonyl)amino]thiourea Formula: C20H29N5O2S MolecularWeight: 403.54156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O2S/c1-4-7-10-14(5-2)13-21-20(28)23-22-18(26)17-15-11-8-9-12-16(15)19(27)25(6-3)24-17/h8-9,11-12,14H,4-7,10,13H2,1-3H3,(H,22,26)(H2,21,23,28)/t14-/m0/s1