(5E)-3-(azepan-1-ium-1-ylmethyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Systemtic Name: (5E)-3-(azepan-1-ium-1-ylmethyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-(azepan-1-ium-1-ylmethyl)-5-(p-tolylmethylene)-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-(1-azepan-1-iumylmethyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-(azepan-1-ium-1-ylmethyl)-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-(azepan-1-ium-1-ylmethyl)-5-(4-methylbenzylidene)-2-thioxo-thiazolidin-4-one Formula: C18H23N2OS2+ MolecularWeight: 347.51802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C[NH+]3CCCCCC3

InChI

InChI=1S/C18H22N2OS2/c1-14-6-8-15(9-7-14)12-16-17(21)20(18(22)23-16)13-19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11,13H2,1H3/p+1/b16-12+