N-(1-isoquinolin-3-ylethylideneamino)azepane-1-carbothioamide

Systemtic Name: N-(1-isoquinolin-3-ylethylideneamino)azepane-1-carbothioamide Openeye Name: N-[1-(3-isoquinolyl)ethylideneamino]azepane-1-carbothioamide CAS Name: N-[1-(3-isoquinolinyl)ethylideneamino]-1-azepanecarbothioamide IUPAC Name: N-(1-isoquinolin-3-ylethylideneamino)azepane-1-carbothioamide Traditional Name: N-[1-(3-isoquinolyl)ethylideneamino]azepane-1-carbothioamide Formula: C18H22N4S MolecularWeight: 326.45908

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCCCCC1)C2=CC3=CC=CC=C3C=N2

Isomeric SMILES

CC(=NNC(=S)N1CCCCCC1)C2=CC3=CC=CC=C3C=N2

InChI

InChI=1S/C18H22N4S/c1-14(17-12-15-8-4-5-9-16(15)13-19-17)20-21-18(23)22-10-6-2-3-7-11-22/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3,(H,21,23)