N-[(E)-1-isoquinolin-1-ylethylideneamino]-4-phenyl-piperidine-1-carbothioamide

Systemtic Name: N-[(E)-1-isoquinolin-1-ylethylideneamino]-4-phenyl-piperidine-1-carbothioamide Openeye Name: N-[(E)-1-(1-isoquinolyl)ethylideneamino]-4-phenyl-piperidine-1-carbothioamide CAS Name: N-[(E)-1-(1-isoquinolinyl)ethylideneamino]-4-phenyl-1-piperidinecarbothioamide IUPAC Name: N-[(E)-1-isoquinolin-1-ylethylideneamino]-4-phenylpiperidine-1-carbothioamide Traditional Name: N-[(E)-1-(1-isoquinolyl)ethylideneamino]-4-phenyl-piperidine-1-carbothioamide Formula: C23H24N4S MolecularWeight: 388.52846

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCC(CC1)C2=CC=CC=C2)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

C/C(=N\NC(=S)N1CCC(CC1)C2=CC=CC=C2)/C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C23H24N4S/c1-17(22-21-10-6-5-9-20(21)11-14-24-22)25-26-23(28)27-15-12-19(13-16-27)18-7-3-2-4-8-18/h2-11,14,19H,12-13,15-16H2,1H3,(H,26,28)/b25-17+