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

Systemtic Name: 3-[4-oxidanylidene-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-pyridin-1-ium-2-yl-propanamide Openeye Name: 3-(5-benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)-N-pyridin-1-ium-2-yl-propanamide CAS Name: 3-[4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]-N-(2-pyridin-1-iumyl)propanamide IUPAC Name: 3-(5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-pyridin-1-ium-2-ylpropanamide Traditional Name: 3-(5-benzal-4-keto-2-thioxo-thiazolidin-3-yl)-N-pyridin-1-ium-2-yl-propionamide Formula: C18H16N3O2S2+ MolecularWeight: 370.46854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2S2/c22-16(20-15-8-4-5-10-19-15)9-11-21-17(23)14(25-18(21)24)12-13-6-2-1-3-7-13/h1-8,10,12H,9,11H2,(H,19,20,22)/p+1