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

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-bromanyl-4-(2-methylpropoxy)benzamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-isobutoxy-benzamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-bromo-4-(2-methylpropoxy)benzamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-(2-methylpropoxy)benzamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-bromo-4-isobutoxy-benzamide Formula: C25H30BrN3O3S MolecularWeight: 532.493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3)Br

InChI

InChI=1S/C25H30BrN3O3S/c1-17(2)16-32-22-12-11-18(15-20(22)26)23(30)28-25(33)27-21-10-6-5-9-19(21)24(31)29-13-7-3-4-8-14-29/h5-6,9-12,15,17H,3-4,7-8,13-14,16H2,1-2H3,(H2,27,28,30,33)