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

Systemtic Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[4-(1-azepanylsulfonyl)anilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[4-(azepan-1-ylsulfonyl)phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S2/c1-13(2)16(21)19-17(24)18-14-7-9-15(10-8-14)25(22,23)20-11-5-3-4-6-12-20/h7-10,13H,3-6,11-12H2,1-2H3,(H2,18,19,21,24)