3-bromanyl-4-butoxy-N-[(2-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(2-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[2-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[2-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[2-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C24H28BrN3O3S MolecularWeight: 518.46642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCC3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCC3)Br

InChI

InChI=1S/C24H28BrN3O3S/c1-2-3-15-31-21-12-11-17(16-19(21)25)22(29)27-24(32)26-20-10-6-5-9-18(20)23(30)28-13-7-4-8-14-28/h5-6,9-12,16H,2-4,7-8,13-15H2,1H3,(H2,26,27,29,32)