N-[(5E)-5-[(5-bromanyl-3-methoxy-2-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

Systemtic Name: N-[(5E)-5-[(5-bromanyl-3-methoxy-2-prop-2-ynoxy-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide Openeye Name: N-[(5E)-5-[(5-bromo-3-methoxy-2-prop-2-ynoxy-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzamide CAS Name: N-[(5E)-5-[(5-bromo-3-methoxy-2-prop-2-ynoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]benzamide IUPAC Name: N-[(5E)-5-[(5-bromo-3-methoxy-2-prop-2-ynoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide Traditional Name: N-[(5E)-5-(5-bromo-3-methoxy-2-propargyloxy-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]benzamide Formula: C21H15BrN2O4S2 MolecularWeight: 503.3888

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C=C2C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)/C=C/2\C(=O)N(C(=S)S2)NC(=O)C3=CC=CC=C3)OCC#C

InChI

InChI=1S/C21H15BrN2O4S2/c1-3-9-28-18-14(10-15(22)12-16(18)27-2)11-17-20(26)24(21(29)30-17)23-19(25)13-7-5-4-6-8-13/h1,4-8,10-12H,9H2,2H3,(H,23,25)/b17-11+