(E)-[azanyl-[5-methylsulfanyl-4-[3-(4-methylsulfonylphenyl)phenyl]sulfonyl-thiophen-2-yl]methylidene]carbamic acid

Systemtic Name: (E)-[azanyl-[5-methylsulfanyl-4-[3-(4-methylsulfonylphenyl)phenyl]sulfonyl-thiophen-2-yl]methylidene]carbamic acid Openeye Name: (E)-[amino-[5-methylsulfanyl-4-[3-(4-methylsulfonylphenyl)phenyl]sulfonyl-2-thienyl]methylene]carbamic acid CAS Name: (E)-[amino-[4-[3-(4-methylsulfonylphenyl)phenyl]sulfonyl-5-(methylthio)-2-thiophenyl]methylidene]carbamic acid IUPAC Name: (E)-[amino-[5-methylsulfanyl-4-[3-(4-methylsulfonylphenyl)phenyl]sulfonylthiophen-2-yl]methylidene]carbamic acid Traditional Name: (E)-[amino-[4-[3-(4-mesylphenyl)phenyl]sulfonyl-5-(methylthio)-2-thienyl]methylene]carbamic acid Formula: C20H18N2O6S4 MolecularWeight: 510.62672

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=NC(=O)O)N)S(=O)(=O)C2=CC=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CSC1=C(C=C(S1)/C(=N\C(=O)O)/N)S(=O)(=O)C2=CC=CC(=C2)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H18N2O6S4/c1-29-19-17(11-16(30-19)18(21)22-20(23)24)32(27,28)15-5-3-4-13(10-15)12-6-8-14(9-7-12)31(2,25)26/h3-11H,1-2H3,(H2,21,22)(H,23,24)