4-heptoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 4-heptoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 4-heptoxy-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 4-heptoxy-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 4-heptoxy-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2

InChI

InChI=1S/C21H27N3O2S/c1-2-3-4-5-6-14-26-19-11-9-18(10-12-19)20(25)24-21(27)23-16-17-8-7-13-22-15-17/h7-13,15H,2-6,14,16H2,1H3,(H2,23,24,25,27)