N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-(4-chlorophenyl)ethanamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-(4-chlorophenyl)ethanamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2-(4-chlorophenyl)acetamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-2-(4-chlorophenyl)acetamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H24ClN3O2S/c23-18-9-5-16(6-10-18)15-20(27)25-22(29)24-19-11-7-17(8-12-19)21(28)26-13-3-1-2-4-14-26/h5-12H,1-4,13-15H2,(H2,24,25,27,29)