5-bromanyl-2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[2-(1-piperidyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[2-(1-piperidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[(2-piperidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[(2-piperidinophenyl)thiocarbamoyl]benzamide Formula: C20H22BrN3O2S MolecularWeight: 448.37658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C20H22BrN3O2S/c1-26-18-10-9-14(21)13-15(18)19(25)23-20(27)22-16-7-3-4-8-17(16)24-11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H2,22,23,25,27)