N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-4-(2-ethoxyethoxy)benzamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-4-(2-ethoxyethoxy)benzamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-4-(2-ethoxyethoxy)benzamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

Isomeric SMILES

CCOCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

InChI

InChI=1S/C25H31N3O4S/c1-2-31-17-18-32-20-13-11-19(12-14-20)23(29)27-25(33)26-22-10-6-5-9-21(22)24(30)28-15-7-3-4-8-16-28/h5-6,9-14H,2-4,7-8,15-18H2,1H3,(H2,26,27,29,33)