S-[2-oxidanylidene-2-[4-[2-(phenylcarbonylsulfanyl)ethanoylamino]butylamino]ethyl] benzenecarbothioate

Systemtic Name: S-[2-oxidanylidene-2-[4-[2-(phenylcarbonylsulfanyl)ethanoylamino]butylamino]ethyl] benzenecarbothioate Openeye Name: S-[2-[4-[(2-benzoylsulfanylacetyl)amino]butylamino]-2-oxo-ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[4-[[2-(benzoylthio)-1-oxoethyl]amino]butylamino]-2-oxoethyl] ester IUPAC Name: S-[2-[4-[(2-benzoylsulfanylacetyl)amino]butylamino]-2-oxoethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[4-[[2-(benzoylthio)acetyl]amino]butylamino]-2-keto-ethyl] ester Formula: C22H24N2O4S2 MolecularWeight: 444.56696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCC(=O)NCCCCNC(=O)CSC(=O)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC(=O)NCCCCNC(=O)CSC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H24N2O4S2/c25-19(15-29-21(27)17-9-3-1-4-10-17)23-13-7-8-14-24-20(26)16-30-22(28)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H,23,25)(H,24,26)