3-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-1-ium-2-yl-propanamide

Systemtic Name: 3-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-1-ium-2-yl-propanamide Openeye Name: 3-[5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]-N-pyridin-1-ium-2-yl-propanamide CAS Name: 3-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-N-(2-pyridin-1-iumyl)propanamide IUPAC Name: 3-[5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-1-ium-2-ylpropanamide Traditional Name: 3-(4-keto-2-thioxo-5-veratrylidene-thiazolidin-3-yl)-N-pyridin-1-ium-2-yl-propionamide Formula: C20H20N3O4S2+ MolecularWeight: 430.5205

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=[NH+]3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC=CC=[NH+]3)OC

InChI

InChI=1S/C20H19N3O4S2/c1-26-14-7-6-13(11-15(14)27-2)12-16-19(25)23(20(28)29-16)10-8-18(24)22-17-5-3-4-9-21-17/h3-7,9,11-12H,8,10H2,1-2H3,(H,21,22,24)/p+1