N-(isoquinolin-5-ylcarbamothioyl)benzamide

Systemtic Name: N-(isoquinolin-5-ylcarbamothioyl)benzamide Openeye Name: N-(5-isoquinolylcarbamothioyl)benzamide CAS Name: N-[(5-isoquinolinylamino)-sulfanylidenemethyl]benzamide IUPAC Name: N-(isoquinolin-5-ylcarbamothioyl)benzamide Traditional Name: N-(5-isoquinolylthiocarbamoyl)benzamide Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C17H13N3OS/c21-16(12-5-2-1-3-6-12)20-17(22)19-15-8-4-7-13-11-18-10-9-14(13)15/h1-11H,(H2,19,20,21,22)