S-[2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethyl] benzenecarbothioate

Systemtic Name: S-[2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethyl] benzenecarbothioate Openeye Name: S-[2-[3-(benzyloxycarbonylamino)propanoylamino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[1-oxo-3-(phenylmethoxycarbonylamino)propyl]amino]ethyl] ester IUPAC Name: S-[2-[3-(phenylmethoxycarbonylamino)propanoylamino]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[3-(benzyloxycarbonylamino)propanoylamino]ethyl] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c23-18(21-13-14-27-19(24)17-9-5-2-6-10-17)11-12-22-20(25)26-15-16-7-3-1-4-8-16/h1-10H,11-15H2,(H,21,23)(H,22,25)