S-[2-[(2-methyl-2-sulfanyl-propyl)amino]ethyl] benzenecarbothioate

Systemtic Name: S-[2-[(2-methyl-2-sulfanyl-propyl)amino]ethyl] benzenecarbothioate Openeye Name: S-[2-[(2-methyl-2-sulfanyl-propyl)amino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[(2-mercapto-2-methylpropyl)amino]ethyl] ester IUPAC Name: S-[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[(2-mercapto-2-methyl-propyl)amino]ethyl] ester Formula: C13H19NOS2 MolecularWeight: 269.42606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNCCSC(=O)C1=CC=CC=C1)S

Isomeric SMILES

CC(C)(CNCCSC(=O)C1=CC=CC=C1)S

InChI

InChI=1S/C13H19NOS2/c1-13(2,16)10-14-8-9-17-12(15)11-6-4-3-5-7-11/h3-7,14,16H,8-10H2,1-2H3