4-[(4-methoxyphenyl)carbamothioylsulfanyl]butanoic acid

Systemtic Name: 4-[(4-methoxyphenyl)carbamothioylsulfanyl]butanoic acid Openeye Name: 4-[(4-methoxyphenyl)carbamothioylsulfanyl]butanoic acid CAS Name: 4-[[(4-methoxyanilino)-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-[(4-methoxyphenyl)carbamothioylsulfanyl]butanoic acid Traditional Name: 4-[(4-methoxyphenyl)thiocarbamoylthio]butyric acid Formula: C12H15NO3S2 MolecularWeight: 285.3824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)SCCCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)SCCCC(=O)O

InChI

InChI=1S/C12H15NO3S2/c1-16-10-6-4-9(5-7-10)13-12(17)18-8-2-3-11(14)15/h4-7H,2-3,8H2,1H3,(H,13,17)(H,14,15)