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

Systemtic Name: 3-bromanyl-4-methoxy-N-[(3-piperidin-1-ylcarbonylphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[3-[oxo(1-piperidinyl)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[[3-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[[3-(piperidine-1-carbonyl)phenyl]thiocarbamoyl]benzamide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCCCC3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)N3CCCCC3)Br

InChI

InChI=1S/C21H22BrN3O3S/c1-28-18-9-8-14(13-17(18)22)19(26)24-21(29)23-16-7-5-6-15(12-16)20(27)25-10-3-2-4-11-25/h5-9,12-13H,2-4,10-11H2,1H3,(H2,23,24,26,29)