4-(2-oxidanylidene-3H-benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-1-carbothioamide

Systemtic Name: 4-(2-oxidanylidene-3H-benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-1-carbothioamide Openeye Name: 4-(2-oxo-3H-benzimidazol-1-yl)-N-(3-pyridylmethyl)piperidine-1-carbothioamide CAS Name: 4-(2-oxo-3H-benzimidazol-1-yl)-N-(3-pyridinylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-(2-oxo-3H-benzimidazol-1-yl)-N-(pyridin-3-ylmethyl)piperidine-1-carbothioamide Traditional Name: 4-(2-keto-3H-benzimidazol-1-yl)-N-(3-pyridylmethyl)piperidine-1-carbothioamide Formula: C19H21N5OS MolecularWeight: 367.46794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=S)NCC4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=S)NCC4=CN=CC=C4

InChI

InChI=1S/C19H21N5OS/c25-18-22-16-5-1-2-6-17(16)24(18)15-7-10-23(11-8-15)19(26)21-13-14-4-3-9-20-12-14/h1-6,9,12,15H,7-8,10-11,13H2,(H,21,26)(H,22,25)