3,5-bis(chloranyl)-2-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-bis(chloranyl)-2-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3,5-dichloro-2-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide CAS Name: 3,5-dichloro-2-methoxy-N-[[4-(1-piperidin-1-iumylmethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-2-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3,5-dichloro-2-methoxy-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]thiocarbamoyl]benzamide Formula: C21H24Cl2N3O2S+ MolecularWeight: 453.40516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC=C(C=C2)C[NH+]3CCCCC3)Cl)Cl

InChI

InChI=1S/C21H23Cl2N3O2S/c1-28-19-17(11-15(22)12-18(19)23)20(27)25-21(29)24-16-7-5-14(6-8-16)13-26-9-3-2-4-10-26/h5-8,11-12H,2-4,9-10,13H2,1H3,(H2,24,25,27,29)/p+1