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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(2-chlorophenyl)propanamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(2-chlorophenyl)propanamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-3-(2-chlorophenyl)propanamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-(2-chlorophenyl)propanamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-3-(2-chlorophenyl)propionamide Formula: C22H26ClN3O3S2 MolecularWeight: 480.04314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3S2/c23-20-8-4-3-7-17(20)9-14-21(27)25-22(30)24-18-10-12-19(13-11-18)31(28,29)26-15-5-1-2-6-16-26/h3-4,7-8,10-13H,1-2,5-6,9,14-16H2,(H2,24,25,27,30)