4-tert-butyl-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]thiocarbamoyl]benzamide Formula: C24H33N4OS+ MolecularWeight: 425.61002

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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=C(C=C3)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H32N4OS/c1-5-27-14-16-28(17-15-27)21-12-10-20(11-13-21)25-23(30)26-22(29)18-6-8-19(9-7-18)24(2,3)4/h6-13H,5,14-17H2,1-4H3,(H2,25,26,29,30)/p+1