N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-(2-chlorophenyl)propanamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-(2-chlorophenyl)propanamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(2-chlorophenyl)propanamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-(2-chlorophenyl)propanamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(2-chlorophenyl)propanamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-(2-chlorophenyl)propionamide Formula: C23H26ClN3O2S MolecularWeight: 443.98944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3Cl

InChI

InChI=1S/C23H26ClN3O2S/c24-20-8-4-3-7-17(20)11-14-21(28)26-23(30)25-19-12-9-18(10-13-19)22(29)27-15-5-1-2-6-16-27/h3-4,7-10,12-13H,1-2,5-6,11,14-16H2,(H2,25,26,28,30)