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

Systemtic Name: 3-bromanyl-N-[(3-chloranyl-4-piperidin-1-yl-phenyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[3-chloro-4-(1-piperidyl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[3-chloro-4-(1-piperidinyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[(3-chloro-4-piperidin-1-ylphenyl)carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[(3-chloro-4-piperidino-phenyl)thiocarbamoyl]-4-methoxy-benzamide Formula: C20H21BrClN3O2S MolecularWeight: 482.82164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrClN3O2S/c1-27-18-8-5-13(11-15(18)21)19(26)24-20(28)23-14-6-7-17(16(22)12-14)25-9-3-2-4-10-25/h5-8,11-12H,2-4,9-10H2,1H3,(H2,23,24,26,28)