N-(2-azanyl-2-sulfanylidene-ethyl)-N'-isoquinolin-5-yl-ethanediamide

Systemtic Name: N-(2-azanyl-2-sulfanylidene-ethyl)-N'-isoquinolin-5-yl-ethanediamide Openeye Name: N-(2-amino-2-thioxo-ethyl)-N'-(5-isoquinolyl)oxamide CAS Name: N-(2-amino-2-sulfanylideneethyl)-N'-(5-isoquinolinyl)oxamide IUPAC Name: N-(2-amino-2-sulfanylideneethyl)-N'-isoquinolin-5-yloxamide Traditional Name: N-(2-amino-2-thioxo-ethyl)-N'-(5-isoquinolyl)oxamide Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O2S/c14-11(20)7-16-12(18)13(19)17-10-3-1-2-8-6-15-5-4-9(8)10/h1-6H,7H2,(H2,14,20)(H,16,18)(H,17,19)