1-isoquinolin-5-yl-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-isoquinolin-5-yl-3-(4-nitrophenyl)thiourea Openeye Name: 1-(5-isoquinolyl)-3-(4-nitrophenyl)thiourea CAS Name: 1-(5-isoquinolinyl)-3-(4-nitrophenyl)thiourea IUPAC Name: 1-isoquinolin-5-yl-3-(4-nitrophenyl)thiourea Traditional Name: 1-(5-isoquinolyl)-3-(4-nitrophenyl)thiourea Formula: C16H12N4O2S MolecularWeight: 324.35708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O2S/c21-20(22)13-6-4-12(5-7-13)18-16(23)19-15-3-1-2-11-10-17-9-8-14(11)15/h1-10H,(H2,18,19,23)