2-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(1-cyclopropyl-5-phenyl-imidazol-2-yl)sulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[(1-cyclopropyl-5-phenyl-2-imidazolyl)thio]-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[(1-cyclopropyl-5-phenyl-imidazol-2-yl)thio]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C26H32N5OS+ MolecularWeight: 462.63018

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC=C(N3C4CC4)C5=CC=CC=C5

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC=C(N3C4CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H31N5OS/c1-2-29-14-16-30(17-15-29)22-10-8-21(9-11-22)28-25(32)19-33-26-27-18-24(31(26)23-12-13-23)20-6-4-3-5-7-20/h3-11,18,23H,2,12-17,19H2,1H3,(H,28,32)/p+1