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

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-3-bromanyl-4-methoxy-benzamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O3S/c1-29-19-11-10-15(14-17(19)23)20(27)25-22(30)24-18-9-5-4-8-16(18)21(28)26-12-6-2-3-7-13-26/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H2,24,25,27,30)