N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2S/c1-4-25-12-14-26(15-13-25)18-10-8-17(9-11-18)23-22(29)24-21(27)19-7-5-6-16(2)20(19)28-3/h5-11H,4,12-15H2,1-3H3,(H2,23,24,27,29)/p+1