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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-phenyl-propanamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-phenyl-propanamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-3-phenylpropanamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-3-phenylpropanamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-3-phenyl-propionamide Formula: C22H27N3O3S2 MolecularWeight: 445.59808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S2/c26-21(15-10-18-8-4-3-5-9-18)24-22(29)23-19-11-13-20(14-12-19)30(27,28)25-16-6-1-2-7-17-25/h3-5,8-9,11-14H,1-2,6-7,10,15-17H2,(H2,23,24,26,29)