N-[3-(piperidin-1-ylmethyl)phenyl]pyridine-2-carbothioamide

Systemtic Name: N-[3-(piperidin-1-ylmethyl)phenyl]pyridine-2-carbothioamide Openeye Name: N-[3-(1-piperidylmethyl)phenyl]pyridine-2-carbothioamide CAS Name: N-[3-(1-piperidinylmethyl)phenyl]-2-pyridinecarbothioamide IUPAC Name: N-[3-(piperidin-1-ylmethyl)phenyl]pyridine-2-carbothioamide Traditional Name: N-[3-(piperidinomethyl)phenyl]thiopicolinamide Formula: C18H21N3S MolecularWeight: 311.44444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)NC(=S)C3=CC=CC=N3

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)NC(=S)C3=CC=CC=N3

InChI

InChI=1S/C18H21N3S/c22-18(17-9-2-3-10-19-17)20-16-8-6-7-15(13-16)14-21-11-4-1-5-12-21/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,20,22)