3-azanyl-N-isoquinolin-5-yl-3-sulfanylidene-propanamide

Systemtic Name: 3-azanyl-N-isoquinolin-5-yl-3-sulfanylidene-propanamide Openeye Name: 3-amino-N-(5-isoquinolyl)-3-thioxo-propanamide CAS Name: 3-amino-N-(5-isoquinolinyl)-3-sulfanylidenepropanamide IUPAC Name: 3-amino-N-isoquinolin-5-yl-3-sulfanylidenepropanamide Traditional Name: 3-amino-N-(5-isoquinolyl)-3-thioxo-propionamide Formula: C12H11N3OS MolecularWeight: 245.30024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)CC(=S)N

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)CC(=S)N

InChI

InChI=1S/C12H11N3OS/c13-11(17)6-12(16)15-10-3-1-2-8-7-14-5-4-9(8)10/h1-5,7H,6H2,(H2,13,17)(H,15,16)