5-bromanyl-2-ethoxy-N-[(3-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[(3-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[3-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[[3-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C22H24BrN3O3S MolecularWeight: 490.41326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCCCC3

InChI

InChI=1S/C22H24BrN3O3S/c1-2-29-19-10-9-16(23)14-18(19)20(27)25-22(30)24-17-8-6-7-15(13-17)21(28)26-11-4-3-5-12-26/h6-10,13-14H,2-5,11-12H2,1H3,(H2,24,25,27,30)