S-[3-azanyl-3-oxidanylidene-2-(phenylmethyl)propyl] benzenecarbothioate

Systemtic Name: S-[3-azanyl-3-oxidanylidene-2-(phenylmethyl)propyl] benzenecarbothioate Openeye Name: S-(3-amino-2-benzyl-3-oxo-propyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-amino-3-oxo-2-(phenylmethyl)propyl] ester IUPAC Name: S-(3-amino-2-benzyl-3-oxopropyl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(3-amino-2-benzyl-3-keto-propyl) ester Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(CSC(=O)C2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C17H17NO2S/c18-16(19)15(11-13-7-3-1-4-8-13)12-21-17(20)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H2,18,19)