N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-bromanyl-4-(2-methoxyethoxy)benzamide

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-bromanyl-4-(2-methoxyethoxy)benzamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-(2-methoxyethoxy)benzamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-bromo-4-(2-methoxyethoxy)benzamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-(2-methoxyethoxy)benzamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-bromo-4-(2-methoxyethoxy)benzamide Formula: C24H28BrN3O4S MolecularWeight: 534.46582

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3)Br

InChI

InChI=1S/C24H28BrN3O4S/c1-31-14-15-32-21-11-10-17(16-19(21)25)22(29)27-24(33)26-20-9-5-4-8-18(20)23(30)28-12-6-2-3-7-13-28/h4-5,8-11,16H,2-3,6-7,12-15H2,1H3,(H2,26,27,29,33)