N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-[(4-methoxyphenyl)thio]propionamide Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCSC3=CC=C(C=C3)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H29N3O2S/c1-3-24-13-15-25(16-14-24)19-6-4-18(5-7-19)23-22(26)12-17-28-21-10-8-20(27-2)9-11-21/h4-11H,3,12-17H2,1-2H3,(H,23,26)/p+1