methyl 5-[[2-[(3-methylsulfanylphenyl)carbamothioylamino]phenyl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[2-[(3-methylsulfanylphenyl)carbamothioylamino]phenyl]sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[2-[(3-methylsulfanylphenyl)carbamothioylamino]phenyl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[2-[[[3-(methylthio)anilino]-sulfanylidenemethyl]amino]phenyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[2-[(3-methylsulfanylphenyl)carbamothioylamino]phenyl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[2-[[3-(methylthio)phenyl]thiocarbamoylamino]phenyl]thio]methyl]furan-2-carboxylic acid methyl ester Formula: C21H20N2O3S3 MolecularWeight: 444.5901

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=CC=CC=C2NC(=S)NC3=CC(=CC=C3)SC

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=CC=CC=C2NC(=S)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H20N2O3S3/c1-25-20(24)18-11-10-15(26-18)13-29-19-9-4-3-8-17(19)23-21(27)22-14-6-5-7-16(12-14)28-2/h3-12H,13H2,1-2H3,(H2,22,23,27)