2-isoquinolin-1-ylsulfanylpropanediamide

Systemtic Name: 2-isoquinolin-1-ylsulfanylpropanediamide Openeye Name: 2-(1-isoquinolylsulfanyl)propanediamide CAS Name: 2-(1-isoquinolinylthio)propanediamide IUPAC Name: 2-isoquinolin-1-ylsulfanylpropanediamide Traditional Name: 2-(1-isoquinolylthio)malonamide Formula: C12H11N3O2S MolecularWeight: 261.29964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2SC(C(=O)N)C(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2SC(C(=O)N)C(=O)N

InChI

InChI=1S/C12H11N3O2S/c13-10(16)9(11(14)17)18-12-8-4-2-1-3-7(8)5-6-15-12/h1-6,9H,(H2,13,16)(H2,14,17)