5-bromanyl-2-phenethyloxy-N-[(2-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-phenethyloxy-N-[(2-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-phenethyloxy-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[2-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-2-phenethyloxy-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-phenethyloxy-N-[[2-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C28H28BrN3O3S MolecularWeight: 566.50922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCCC4=CC=CC=C4

InChI

InChI=1S/C28H28BrN3O3S/c29-21-13-14-25(35-18-15-20-9-3-1-4-10-20)23(19-21)26(33)31-28(36)30-24-12-6-5-11-22(24)27(34)32-16-7-2-8-17-32/h1,3-6,9-14,19H,2,7-8,15-18H2,(H2,30,31,33,36)