N-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-1-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-en-2-yl]benzamide

Systemtic Name: N-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-1-(4-methylsulfanylphenyl)-3-oxidanylidene-prop-1-en-2-yl]benzamide Openeye Name: N-[(E)-1-(4-methylpiperazin-4-ium-1-carbonyl)-2-(4-methylsulfanylphenyl)vinyl]benzamide CAS Name: N-[(E)-3-(4-methyl-1-piperazin-4-iumyl)-1-[4-(methylthio)phenyl]-3-oxoprop-1-en-2-yl]benzamide IUPAC Name: N-[(E)-3-(4-methylpiperazin-4-ium-1-yl)-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]benzamide Traditional Name: N-[(E)-1-(4-methylpiperazin-4-ium-1-carbonyl)-2-[4-(methylthio)phenyl]vinyl]benzamide Formula: C22H26N3O2S+ MolecularWeight: 396.52574

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C(=CC2=CC=C(C=C2)SC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S/c1-24-12-14-25(15-13-24)22(27)20(16-17-8-10-19(28-2)11-9-17)23-21(26)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,23,26)/p+1/b20-16+