N-[1-[(E)-(carbamothioylhydrazinylidene)methyl]isoquinolin-5-yl]ethanamide

Systemtic Name: N-[1-[(E)-(carbamothioylhydrazinylidene)methyl]isoquinolin-5-yl]ethanamide Openeye Name: N-[1-[(E)-(carbamothioylhydrazono)methyl]-5-isoquinolyl]acetamide CAS Name: N-[1-[(E)-(carbamothioylhydrazinylidene)methyl]-5-isoquinolinyl]acetamide IUPAC Name: N-[1-[(E)-(carbamothioylhydrazinylidene)methyl]isoquinolin-5-yl]acetamide Traditional Name: N-[1-[(E)-(thiocarbamoylhydrazono)methyl]-5-isoquinolyl]acetamide Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C1C=CN=C2C=NNC(=S)N

Isomeric SMILES

CC(=O)NC1=CC=CC2=C1C=CN=C2/C=N/NC(=S)N

InChI

InChI=1S/C13H13N5OS/c1-8(19)17-11-4-2-3-9-10(11)5-6-15-12(9)7-16-18-13(14)20/h2-7H,1H3,(H,17,19)(H3,14,18,20)/b16-7+