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

Systemtic Name: N-[[3-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[3-chloro-2-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[[3-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C26H36ClN4O4S+ MolecularWeight: 536.10644

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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)OCC)OCC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H35ClN4O4S/c1-5-30-12-14-31(15-13-30)23-19(27)10-9-11-20(23)28-26(36)29-25(32)18-16-21(33-6-2)24(35-8-4)22(17-18)34-7-3/h9-11,16-17H,5-8,12-15H2,1-4H3,(H2,28,29,32,36)/p+1