3-bromanyl-4-phenethyloxy-N-[(3-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-phenethyloxy-N-[(3-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-phenethyloxy-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[3-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-4-phenethyloxy-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-phenethyloxy-N-[[3-(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=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

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

InChI

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