N-(4-methylpiperazin-4-ium-1-yl)-3-[(5Z)-4-oxidanylidene-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

Systemtic Name: N-(4-methylpiperazin-4-ium-1-yl)-3-[(5Z)-4-oxidanylidene-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-thioxo-thiazolidin-3-yl]propanamide CAS Name: N-(4-methyl-1-piperazin-4-iumyl)-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-3-thiazolidinyl]propanamide IUPAC Name: N-(4-methylpiperazin-4-ium-1-yl)-3-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide Traditional Name: 3-[(5Z)-4-keto-5-[(E)-3-phenylprop-2-enylidene]-2-thioxo-thiazolidin-3-yl]-N-(4-methylpiperazin-4-ium-1-yl)propionamide Formula: C20H25N4O2S2+ MolecularWeight: 417.5681

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)CCN2C(=O)C(=CC=CC3=CC=CC=C3)SC2=S

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)CCN2C(=O)/C(=C/C=C/C3=CC=CC=C3)/SC2=S

InChI

InChI=1S/C20H24N4O2S2/c1-22-12-14-23(15-13-22)21-18(25)10-11-24-19(26)17(28-20(24)27)9-5-8-16-6-3-2-4-7-16/h2-9H,10-15H2,1H3,(H,21,25)/p+1/b8-5+,17-9-