N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]octanamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]octanamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]octanamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]octanamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]caprylamide Formula: C22H33N3O2S MolecularWeight: 403.58132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N2CCCCCC2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N2CCCCCC2

InChI

InChI=1S/C22H33N3O2S/c1-2-3-4-5-8-11-20(26)24-22(28)23-19-14-12-18(13-15-19)21(27)25-16-9-6-7-10-17-25/h12-15H,2-11,16-17H2,1H3,(H2,23,24,26,28)