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

Systemtic Name: (5E)-3-(azepan-1-ium-1-ylmethyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Openeye Name: (5E)-3-(azepan-1-ium-1-ylmethyl)-5-[(5-methyl-2-furyl)methylene]-2-thioxo-thiazolidin-4-one CAS Name: (5E)-3-(1-azepan-1-iumylmethyl)-5-[(5-methyl-2-furanyl)methylidene]-2-sulfanylidene-4-thiazolidinone IUPAC Name: (5E)-3-(azepan-1-ium-1-ylmethyl)-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one Traditional Name: (5E)-3-(azepan-1-ium-1-ylmethyl)-5-[(5-methyl-2-furyl)methylene]-2-thioxo-thiazolidin-4-one Formula: C16H21N2O2S2+ MolecularWeight: 337.48014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C=C2C(=O)N(C(=S)S2)C[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC=C(O1)/C=C/2\C(=O)N(C(=S)S2)C[NH+]3CCCCCC3

InChI

InChI=1S/C16H20N2O2S2/c1-12-6-7-13(20-12)10-14-15(19)18(16(21)22-14)11-17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11H2,1H3/p+1/b14-10+