1-tert-butyl-3-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]thiourea

Systemtic Name: 1-tert-butyl-3-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]thiourea Openeye Name: 1-tert-butyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiourea CAS Name: 1-tert-butyl-3-[[1-oxo-2-(4-oxo-1-cinnolinyl)ethyl]amino]thiourea IUPAC Name: 1-tert-butyl-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiourea Traditional Name: 1-tert-butyl-3-[[2-(4-ketocinnolin-1-yl)acetyl]amino]thiourea Formula: C15H19N5O2S MolecularWeight: 333.40866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=S)NNC(=O)CN1C2=CC=CC=C2C(=O)C=N1

Isomeric SMILES

CC(C)(C)NC(=S)NNC(=O)CN1C2=CC=CC=C2C(=O)C=N1

InChI

InChI=1S/C15H19N5O2S/c1-15(2,3)17-14(23)19-18-13(22)9-20-11-7-5-4-6-10(11)12(21)8-16-20/h4-8H,9H2,1-3H3,(H,18,22)(H2,17,19,23)