N-[1-[(E)-(carbamothioylhydrazinylidene)methyl]isoquinolin-4-yl]ethanamide

Systemtic Name: N-[1-[(E)-(carbamothioylhydrazinylidene)methyl]isoquinolin-4-yl]ethanamide Openeye Name: N-[1-[(E)-(carbamothioylhydrazono)methyl]-4-isoquinolyl]acetamide CAS Name: N-[1-[(E)-(carbamothioylhydrazinylidene)methyl]-4-isoquinolinyl]acetamide IUPAC Name: N-[1-[(E)-(carbamothioylhydrazinylidene)methyl]isoquinolin-4-yl]acetamide Traditional Name: N-[1-[(E)-(thiocarbamoylhydrazono)methyl]-4-isoquinolyl]acetamide Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CN=C(C2=CC=CC=C21)C=NNC(=S)N

Isomeric SMILES

CC(=O)NC1=CN=C(C2=CC=CC=C21)/C=N/NC(=S)N

InChI

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