5-bromanyl-N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[(3-chloranyl-2-piperidin-1-yl-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[[3-chloro-2-(1-piperidyl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[3-chloro-2-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[(3-chloro-2-piperidino-phenyl)thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C21H23BrClN3O2S MolecularWeight: 496.84822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCCCC3)OC

InChI

InChI=1S/C21H23BrClN3O2S/c1-13-11-14(22)12-15(19(13)28-2)20(27)25-21(29)24-17-8-6-7-16(23)18(17)26-9-4-3-5-10-26/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,24,25,27,29)