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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-chlorophenyl)ethanamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-(4-chlorophenyl)acetamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2-(4-chlorophenyl)acetamide Formula: C21H24ClN3O3S2 MolecularWeight: 466.01656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3S2/c22-17-7-5-16(6-8-17)15-20(26)24-21(29)23-18-9-11-19(12-10-18)30(27,28)25-13-3-1-2-4-14-25/h5-12H,1-4,13-15H2,(H2,23,24,26,29)