ethyl (E)-2-(phenylcarbonyl)-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]carbamothioylamino]prop-2-enoate

Systemtic Name: ethyl (E)-2-(phenylcarbonyl)-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]carbamothioylamino]prop-2-enoate Openeye Name: ethyl (E)-2-benzoyl-3-[[4-(2-pyridylsulfamoyl)phenyl]carbamothioylamino]prop-2-enoate CAS Name: (E)-2-benzoyl-3-[[[4-(2-pyridinylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-benzoyl-3-[[4-(pyridin-2-ylsulfamoyl)phenyl]carbamothioylamino]prop-2-enoate Traditional Name: (E)-2-benzoyl-3-[[4-(2-pyridylsulfamoyl)phenyl]thiocarbamoylamino]acrylic acid ethyl ester Formula: C24H22N4O5S2 MolecularWeight: 510.58528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C(=C/NC(=S)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2)/C(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H22N4O5S2/c1-2-33-23(30)20(22(29)17-8-4-3-5-9-17)16-26-24(34)27-18-11-13-19(14-12-18)35(31,32)28-21-10-6-7-15-25-21/h3-16H,2H2,1H3,(H,25,28)(H2,26,27,34)/b20-16+