2-methoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-methoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2-methoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 2-methoxy-N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 2-methoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3OC

InChI

InChI=1S/C20H24N4O2S/c1-23-11-13-24(14-12-23)16-9-7-15(8-10-16)21-20(27)22-19(25)17-5-3-4-6-18(17)26-2/h3-10H,11-14H2,1-2H3,(H2,21,22,25,27)/p+1