N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-2-phenoxy-acetamide 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)COC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O2S/c1-23-11-13-24(14-12-23)17-9-7-16(8-10-17)21-20(27)22-19(25)15-26-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H2,21,22,25,27)/p+1