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

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-(4-propan-2-ylphenoxy)ethanamide Openeye Name: 2-(4-isopropylphenoxy)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]acetamide CAS Name: N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-2-(4-propan-2-ylphenoxy)acetamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-2-(4-propan-2-ylphenoxy)acetamide Traditional Name: 2-(4-isopropylphenoxy)-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]acetamide Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C23H30N4O2S/c1-17(2)18-4-10-21(11-5-18)29-16-22(28)25-23(30)24-19-6-8-20(9-7-19)27-14-12-26(3)13-15-27/h4-11,17H,12-16H2,1-3H3,(H2,24,25,28,30)/p+1