5-bromanyl-2-methoxy-N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[4-(1-piperidyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[4-(1-piperidinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[(4-piperidin-1-ylphenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[(4-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=C(C=C2)N3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrN3O2S/c1-26-18-10-5-14(21)13-17(18)19(25)23-20(27)22-15-6-8-16(9-7-15)24-11-3-2-4-12-24/h5-10,13H,2-4,11-12H2,1H3,(H2,22,23,25,27)