5-bromanyl-N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[(3-chloro-4-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=CC(=C(C=C2)N3CCCCC3)Cl)OC

Isomeric SMILES

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

InChI

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