N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-(2-methylphenyl)ethanamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-(2-methylphenyl)ethanamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(o-tolyl)acetamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2-(2-methylphenyl)acetamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-2-(o-tolyl)acetamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C23H27N3O2S/c1-17-8-4-5-9-19(17)16-21(27)25-23(29)24-20-12-10-18(11-13-20)22(28)26-14-6-2-3-7-15-26/h4-5,8-13H,2-3,6-7,14-16H2,1H3,(H2,24,25,27,29)