methyl 4-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[3-[2-(2-thienyl)ethynyl]phenyl]carbamothioylamino]butanoate CAS Name: 4-[[sulfanylidene-[3-(2-thiophen-2-ylethynyl)anilino]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[3-(2-thiophen-2-ylethynyl)phenyl]carbamothioylamino]butanoate Traditional Name: 4-[[3-[2-(2-thienyl)ethynyl]phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C18H18N2O2S2 MolecularWeight: 358.47772

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=CC=CC(=C1)C#CC2=CC=CS2

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=CC=CC(=C1)C#CC2=CC=CS2

InChI

InChI=1S/C18H18N2O2S2/c1-22-17(21)8-3-11-19-18(23)20-15-6-2-5-14(13-15)9-10-16-7-4-12-24-16/h2,4-7,12-13H,3,8,11H2,1H3,(H2,19,20,23)