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

Systemtic Name: 5-bromanyl-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[4-(1-piperidylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[[4-(piperidinomethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CN3CCCCC3

InChI

InChI=1S/C21H24BrN3O2S/c1-27-19-10-7-16(22)13-18(19)20(26)24-21(28)23-17-8-5-15(6-9-17)14-25-11-3-2-4-12-25/h5-10,13H,2-4,11-12,14H2,1H3,(H2,23,24,26,28)