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

Systemtic Name: 2-acetamido-4-[(4-methoxyphenyl)carbamothioylsulfanyl]butanoic acid Openeye Name: 2-acetamido-4-[(4-methoxyphenyl)carbamothioylsulfanyl]butanoic acid CAS Name: 2-acetamido-4-[[(4-methoxyanilino)-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 2-acetamido-4-[(4-methoxyphenyl)carbamothioylsulfanyl]butanoic acid Traditional Name: 2-acetamido-4-[(4-methoxyphenyl)thiocarbamoylthio]butyric acid Formula: C14H18N2O4S2 MolecularWeight: 342.43372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC(=S)NC1=CC=C(C=C1)OC)C(=O)O

Isomeric SMILES

CC(=O)NC(CCSC(=S)NC1=CC=C(C=C1)OC)C(=O)O

InChI

InChI=1S/C14H18N2O4S2/c1-9(17)15-12(13(18)19)7-8-22-14(21)16-10-3-5-11(20-2)6-4-10/h3-6,12H,7-8H2,1-2H3,(H,15,17)(H,16,21)(H,18,19)