N-(pyridin-3-ylmethyl)-4-quinolin-4-yl-piperazine-1-carbothioamide

Systemtic Name: N-(pyridin-3-ylmethyl)-4-quinolin-4-yl-piperazine-1-carbothioamide Openeye Name: N-(3-pyridylmethyl)-4-(4-quinolyl)piperazine-1-carbothioamide CAS Name: N-(3-pyridinylmethyl)-4-(4-quinolinyl)-1-piperazinecarbothioamide IUPAC Name: N-(pyridin-3-ylmethyl)-4-quinolin-4-ylpiperazine-1-carbothioamide Traditional Name: N-(3-pyridylmethyl)-4-(4-quinolyl)piperazine-1-carbothioamide Formula: C20H21N5S MolecularWeight: 363.47924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC3=CC=CC=C32)C(=S)NCC4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=NC3=CC=CC=C32)C(=S)NCC4=CN=CC=C4

InChI

InChI=1S/C20H21N5S/c26-20(23-15-16-4-3-8-21-14-16)25-12-10-24(11-13-25)19-7-9-22-18-6-2-1-5-17(18)19/h1-9,14H,10-13,15H2,(H,23,26)