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

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-4-pentoxy-benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-pentoxy-benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-4-pentoxybenzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C26H33N3O3S MolecularWeight: 467.62352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C26H33N3O3S/c1-2-3-8-19-32-23-15-11-20(12-16-23)24(30)28-26(33)27-22-13-9-21(10-14-22)25(31)29-17-6-4-5-7-18-29/h9-16H,2-8,17-19H2,1H3,(H2,27,28,30,33)