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

Systemtic Name: 1-[2-(4-oxidanylidenecinnolin-1-yl)ethanoylamino]-3-pentyl-thiourea Openeye Name: 1-[[2-(4-oxocinnolin-1-yl)acetyl]amino]-3-pentyl-thiourea CAS Name: 1-[[1-oxo-2-(4-oxo-1-cinnolinyl)ethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[2-(4-oxocinnolin-1-yl)acetyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[2-(4-ketocinnolin-1-yl)acetyl]amino]thiourea Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5O2S/c1-2-3-6-9-17-16(24)20-19-15(23)11-21-13-8-5-4-7-12(13)14(22)10-18-21/h4-5,7-8,10H,2-3,6,9,11H2,1H3,(H,19,23)(H2,17,20,24)