N-[[3-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[3-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[3-chloro-2-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C23H30ClN4O4S+ MolecularWeight: 494.0267

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H29ClN4O4S/c1-5-27-9-11-28(12-10-27)20-16(24)7-6-8-17(20)25-23(33)26-22(29)15-13-18(30-2)21(32-4)19(14-15)31-3/h6-8,13-14H,5,9-12H2,1-4H3,(H2,25,26,29,33)/p+1