S-[2-(3-benzamidopropanoylamino)ethyl] benzenecarbothioate

Systemtic Name: S-[2-(3-benzamidopropanoylamino)ethyl] benzenecarbothioate Openeye Name: S-[2-(3-benzamidopropanoylamino)ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[(3-benzamido-1-oxopropyl)amino]ethyl] ester IUPAC Name: S-[2-(3-benzamidopropanoylamino)ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-(3-benzamidopropanoylamino)ethyl] ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NCCC(=O)NCCSC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NCCC(=O)NCCSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H20N2O3S/c22-17(11-12-21-18(23)15-7-3-1-4-8-15)20-13-14-25-19(24)16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,22)(H,21,23)