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

Systemtic Name: N-[(E)-1-isoquinolin-1-ylethylideneamino]pyrrolidine-1-carbothioamide Openeye Name: N-[(E)-1-(1-isoquinolyl)ethylideneamino]pyrrolidine-1-carbothioamide CAS Name: N-[(E)-1-(1-isoquinolinyl)ethylideneamino]-1-pyrrolidinecarbothioamide IUPAC Name: N-[(E)-1-isoquinolin-1-ylethylideneamino]pyrrolidine-1-carbothioamide Traditional Name: N-[(E)-1-(1-isoquinolyl)ethylideneamino]pyrrolidine-1-carbothioamide Formula: C16H18N4S MolecularWeight: 298.40592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCCC1)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

C/C(=N\NC(=S)N1CCCC1)/C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C16H18N4S/c1-12(18-19-16(21)20-10-4-5-11-20)15-14-7-3-2-6-13(14)8-9-17-15/h2-3,6-9H,4-5,10-11H2,1H3,(H,19,21)/b18-12+