butyl 4-[[(5Z)-5-[(4-iodophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoate

Systemtic Name: butyl 4-[[(5Z)-5-[(4-iodophenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoate Openeye Name: butyl 4-[[(5Z)-5-[(4-iodophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]methylamino]benzoate CAS Name: 4-[[(5Z)-5-[(4-iodophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]methylamino]benzoic acid butyl ester IUPAC Name: butyl 4-[[(5Z)-5-[(4-iodophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methylamino]benzoate Traditional Name: 4-[[(5Z)-5-(4-iodobenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]methylamino]benzoic acid butyl ester Formula: C22H21IN2O3S2 MolecularWeight: 552.44821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NCN2C(=O)C(=CC3=CC=C(C=C3)I)SC2=S

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NCN2C(=O)/C(=C/C3=CC=C(C=C3)I)/SC2=S

InChI

InChI=1S/C22H21IN2O3S2/c1-2-3-12-28-21(27)16-6-10-18(11-7-16)24-14-25-20(26)19(30-22(25)29)13-15-4-8-17(23)9-5-15/h4-11,13,24H,2-3,12,14H2,1H3/b19-13-