S-[2-(2-sulfanylpropylamino)ethyl] benzenecarbothioate

Systemtic Name: S-[2-(2-sulfanylpropylamino)ethyl] benzenecarbothioate Openeye Name: S-[2-(2-sulfanylpropylamino)ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-(2-mercaptopropylamino)ethyl] ester IUPAC Name: S-[2-(2-sulfanylpropylamino)ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-(2-mercaptopropylamino)ethyl] ester Formula: C12H17NOS2 MolecularWeight: 255.39948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NOS2/c1-10(15)9-13-7-8-16-12(14)11-5-3-2-4-6-11/h2-6,10,13,15H,7-9H2,1H3