1-(5,7-dinitroquinolin-8-yl)-3-phenyl-thiourea

Systemtic Name: 1-(5,7-dinitroquinolin-8-yl)-3-phenyl-thiourea Openeye Name: 1-(5,7-dinitro-8-quinolyl)-3-phenyl-thiourea CAS Name: 1-(5,7-dinitro-8-quinolinyl)-3-phenylthiourea IUPAC Name: 1-(5,7-dinitroquinolin-8-yl)-3-phenylthiourea Traditional Name: 1-(5,7-dinitro-8-quinolyl)-3-phenyl-thiourea Formula: C16H11N5O4S MolecularWeight: 369.35464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=C(C=C(C3=C2N=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N5O4S/c22-20(23)12-9-13(21(24)25)15(14-11(12)7-4-8-17-14)19-16(26)18-10-5-2-1-3-6-10/h1-9H,(H2,18,19,26)