S-[4-[[2-azanyl-3-(methylsulfanylmethylsulfanyl)propanoyl]amino]-4-oxidanylidene-3-(phenylmethyl)butyl] benzenecarbothioate

Systemtic Name: S-[4-[[2-azanyl-3-(methylsulfanylmethylsulfanyl)propanoyl]amino]-4-oxidanylidene-3-(phenylmethyl)butyl] benzenecarbothioate Openeye Name: S-[4-[[2-amino-3-(methylsulfanylmethylsulfanyl)propanoyl]amino]-3-benzyl-4-oxo-butyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[4-[[2-amino-3-[(methylthio)methylthio]-1-oxopropyl]amino]-4-oxo-3-(phenylmethyl)butyl] ester IUPAC Name: S-[4-[[2-amino-3-(methylsulfanylmethylsulfanyl)propanoyl]amino]-3-benzyl-4-oxobutyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[4-[[2-amino-3-[(methylthio)methylthio]propanoyl]amino]-3-benzyl-4-keto-butyl] ester Formula: C23H28N2O3S3 MolecularWeight: 476.67502

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Descriptors Computed from Structure

Canonical SMILES:

CSCSCC(C(=O)NC(=O)C(CCSC(=O)C1=CC=CC=C1)CC2=CC=CC=C2)N

Isomeric SMILES

CSCSCC(C(=O)NC(=O)C(CCSC(=O)C1=CC=CC=C1)CC2=CC=CC=C2)N

InChI

InChI=1S/C23H28N2O3S3/c1-29-16-30-15-20(24)22(27)25-21(26)19(14-17-8-4-2-5-9-17)12-13-31-23(28)18-10-6-3-7-11-18/h2-11,19-20H,12-16,24H2,1H3,(H,25,26,27)