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

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O2S/c1-19(2,3)17(24)21-18(25)20-15-10-8-14(9-11-15)16(23)22-12-6-4-5-7-13-22/h8-11H,4-7,12-13H2,1-3H3,(H2,20,21,24,25)