3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]benzenecarbothioamide

Systemtic Name: 3-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]benzenecarbothioamide Openeye Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)benzenecarbothioamide CAS Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)benzenecarbothioamide IUPAC Name: 3-(1,3-dioxo-4H-isoquinolin-2-yl)benzenecarbothioamide Traditional Name: 3-(1,3-diketo-4H-isoquinolin-2-yl)thiobenzamide Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3)C(=S)N

Isomeric SMILES

C1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC(=C3)C(=S)N

InChI

InChI=1S/C16H12N2O2S/c17-15(21)11-5-3-6-12(8-11)18-14(19)9-10-4-1-2-7-13(10)16(18)20/h1-8H,9H2,(H2,17,21)