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

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)ethanamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2-(4-methoxyphenyl)acetamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-2-(4-methoxyphenyl)acetamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C23H27N3O3S/c1-29-20-12-6-17(7-13-20)16-21(27)25-23(30)24-19-10-8-18(9-11-19)22(28)26-14-4-2-3-5-15-26/h6-13H,2-5,14-16H2,1H3,(H2,24,25,27,30)