N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C27H35N3O3S MolecularWeight: 481.6501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

InChI

InChI=1S/C27H35N3O3S/c1-2-3-4-11-20-33-22-16-14-21(15-17-22)25(31)29-27(34)28-24-13-8-7-12-23(24)26(32)30-18-9-5-6-10-19-30/h7-8,12-17H,2-6,9-11,18-20H2,1H3,(H2,28,29,31,34)