3,5-bis(chloranyl)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3,5-bis(chloranyl)-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3,5-dichloro-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3,5-dichloro-N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3,5-dichloro-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3,5-dichloro-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-4-methoxy-benzamide Formula: C21H25Cl2N4O2S+ MolecularWeight: 468.4198

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C(=C3)Cl)OC)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C(=C3)Cl)OC)Cl

InChI

InChI=1S/C21H24Cl2N4O2S/c1-3-26-8-10-27(11-9-26)16-6-4-15(5-7-16)24-21(30)25-20(28)14-12-17(22)19(29-2)18(23)13-14/h4-7,12-13H,3,8-11H2,1-2H3,(H2,24,25,28,30)/p+1