N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: 3-isobutoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(4-methyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: 3-isobutoxy-N-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

InChI

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