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

Systemtic Name: (5E)-3-(azepan-1-ium-1-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-(azepan-1-ium-1-ylmethyl)-5-[(4-methoxyphenyl)methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-(1-azepan-1-iumylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-(azepan-1-ium-1-ylmethyl)-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-(azepan-1-ium-1-ylmethyl)-5-p-anisylidene-2-thioxo-thiazolidin-4-one Formula: C18H23N2O2S2+ MolecularWeight: 363.51742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)C[NH+]3CCCCCC3

InChI

InChI=1S/C18H22N2O2S2/c1-22-15-8-6-14(7-9-15)12-16-17(21)20(18(23)24-16)13-19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11,13H2,1H3/p+1/b16-12+