benzenecarbothioic S-acid; 4-methylsulfanyl-2-(3-sulfanylpropanoylamino)butanoic acid

Systemtic Name: benzenecarbothioic S-acid; 4-methylsulfanyl-2-(3-sulfanylpropanoylamino)butanoic acid Openeye Name: benzenecarbothioic S-acid; 4-methylsulfanyl-2-(3-sulfanylpropanoylamino)butanoic acid CAS Name: benzenecarbothioic S-acid; 2-[(3-mercapto-1-oxopropyl)amino]-4-(methylthio)butanoic acid IUPAC Name: benzenecarbothioic S-acid; 4-methylsulfanyl-2-(3-sulfanylpropanoylamino)butanoic acid Traditional Name: 2-(3-mercaptopropanoylamino)-4-(methylthio)butyric acid; thiobenzoic acid Formula: C15H21NO4S3 MolecularWeight: 375.52654

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCS.C1=CC=C(C=C1)C(=O)S

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCS.C1=CC=C(C=C1)C(=O)S

InChI

InChI=1S/C8H15NO3S2.C7H6OS/c1-14-5-3-6(8(11)12)9-7(10)2-4-13;8-7(9)6-4-2-1-3-5-6/h6,13H,2-5H2,1H3,(H,9,10)(H,11,12);1-5H,(H,8,9)