3-bromanyl-4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide hydrochloride

Systemtic Name: 3-bromanyl-4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide hydrochloride Openeye Name: 3-bromo-4-methoxy-N-[[4-(1-piperidylmethyl)phenyl]carbamothioyl]benzamide hydrochloride CAS Name: 3-bromo-4-methoxy-N-[[4-(1-piperidinylmethyl)anilino]-sulfanylidenemethyl]benzamide hydrochloride IUPAC Name: 3-bromo-4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]carbamothioyl]benzamide hydrochloride Traditional Name: 3-bromo-4-methoxy-N-[[4-(piperidinomethyl)phenyl]thiocarbamoyl]benzamide hydrochloride Formula: C21H25BrClN3O2S MolecularWeight: 498.8641

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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)CN3CCCCC3)Br.Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrN3O2S.ClH/c1-27-19-10-7-16(13-18(19)22)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);1H