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

Systemtic Name: 1-(4-butylphenyl)-3-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[1-oxo-2-(4-oxo-1-cinnolinyl)ethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[2-(4-oxocinnolin-1-yl)acetyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[2-(4-ketocinnolin-1-yl)acetyl]amino]thiourea Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3C(=O)C=N2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C3=CC=CC=C3C(=O)C=N2

InChI

InChI=1S/C21H23N5O2S/c1-2-3-6-15-9-11-16(12-10-15)23-21(29)25-24-20(28)14-26-18-8-5-4-7-17(18)19(27)13-22-26/h4-5,7-13H,2-3,6,14H2,1H3,(H,24,28)(H2,23,25,29)