3,4,5-trimethoxy-N-(2-pyridin-3-ylpiperidin-1-yl)carbothioyl-benzamide

Systemtic Name: 3,4,5-trimethoxy-N-(2-pyridin-3-ylpiperidin-1-yl)carbothioyl-benzamide Openeye Name: 3,4,5-trimethoxy-N-[2-(3-pyridyl)piperidine-1-carbothioyl]benzamide CAS Name: 3,4,5-trimethoxy-N-[[2-(3-pyridinyl)-1-piperidinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-trimethoxy-N-(2-pyridin-3-ylpiperidine-1-carbothioyl)benzamide Traditional Name: 3,4,5-trimethoxy-N-[2-(3-pyridyl)piperidine-1-carbothioyl]benzamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCCCC2C3=CN=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCCCC2C3=CN=CC=C3

InChI

InChI=1S/C21H25N3O4S/c1-26-17-11-15(12-18(27-2)19(17)28-3)20(25)23-21(29)24-10-5-4-8-16(24)14-7-6-9-22-13-14/h6-7,9,11-13,16H,4-5,8,10H2,1-3H3,(H,23,25,29)