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

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C22H25N3O3S/c1-28-19-9-5-4-8-18(19)20(26)24-22(29)23-17-12-10-16(11-13-17)21(27)25-14-6-2-3-7-15-25/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H2,23,24,26,29)