N-[(E)-1-isoquinolin-1-ylethylideneamino]azepane-1-carbothioamide

Systemtic Name: N-[(E)-1-isoquinolin-1-ylethylideneamino]azepane-1-carbothioamide Openeye Name: N-[(E)-1-(1-isoquinolyl)ethylideneamino]azepane-1-carbothioamide CAS Name: N-[(E)-1-(1-isoquinolinyl)ethylideneamino]-1-azepanecarbothioamide IUPAC Name: N-[(E)-1-isoquinolin-1-ylethylideneamino]azepane-1-carbothioamide Traditional Name: N-[(E)-1-(1-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=NC=CC3=CC=CC=C32

Isomeric SMILES

C/C(=N\NC(=S)N1CCCCCC1)/C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C18H22N4S/c1-14(17-16-9-5-4-8-15(16)10-11-19-17)20-21-18(23)22-12-6-2-3-7-13-22/h4-5,8-11H,2-3,6-7,12-13H2,1H3,(H,21,23)/b20-14+