N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzamide Formula: C25H31N6O2S+ MolecularWeight: 479.61764

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC(=O)CSC4=NC=CN4C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC(=O)CSC4=NC=CN4C

InChI

InChI=1S/C25H30N6O2S/c1-3-30-14-16-31(17-15-30)22-10-8-21(9-11-22)28-24(33)19-4-6-20(7-5-19)27-23(32)18-34-25-26-12-13-29(25)2/h4-13H,3,14-18H2,1-2H3,(H,27,32)(H,28,33)/p+1