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

Systemtic Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-isobutoxy-benzamide CAS Name: N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]-3-isobutoxy-benzamide Formula: C24H33N4O2S+ MolecularWeight: 441.60942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4O2S/c1-4-27-12-14-28(15-13-27)21-10-8-20(9-11-21)25-24(31)26-23(29)19-6-5-7-22(16-19)30-17-18(2)3/h5-11,16,18H,4,12-15,17H2,1-3H3,(H2,25,26,29,31)/p+1