N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C18H27N3O3S2 MolecularWeight: 397.55528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCCC2

InChI

InChI=1S/C18H27N3O3S2/c1-18(2,3)16(22)20-17(25)19-14-8-10-15(11-9-14)26(23,24)21-12-6-4-5-7-13-21/h8-11H,4-7,12-13H2,1-3H3,(H2,19,20,22,25)