S-[3-[[1-[methyl-[2-(phenylcarbonylsulfanyl)ethyl]amino]-3-pyridin-2-yl-propan-2-yl]amino]-3-oxidanylidene-propyl] benzenecarbothioate

Systemtic Name: S-[3-[[1-[methyl-[2-(phenylcarbonylsulfanyl)ethyl]amino]-3-pyridin-2-yl-propan-2-yl]amino]-3-oxidanylidene-propyl] benzenecarbothioate Openeye Name: S-[3-[[1-[[2-benzoylsulfanylethyl(methyl)amino]methyl]-2-(2-pyridyl)ethyl]amino]-3-oxo-propyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-[[1-[2-(benzoylthio)ethyl-methylamino]-3-(2-pyridinyl)propan-2-yl]amino]-3-oxopropyl] ester IUPAC Name: S-[3-[[1-[2-benzoylsulfanylethyl(methyl)amino]-3-pyridin-2-ylpropan-2-yl]amino]-3-oxopropyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-[[1-[[2-(benzoylthio)ethyl-methyl-amino]methyl]-2-(2-pyridyl)ethyl]amino]-3-keto-propyl] ester Formula: C28H31N3O3S2 MolecularWeight: 521.69404

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCSC(=O)C1=CC=CC=C1)CC(CC2=CC=CC=N2)NC(=O)CCSC(=O)C3=CC=CC=C3

Isomeric SMILES

CN(CCSC(=O)C1=CC=CC=C1)CC(CC2=CC=CC=N2)NC(=O)CCSC(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H31N3O3S2/c1-31(17-19-36-28(34)23-12-6-3-7-13-23)21-25(20-24-14-8-9-16-29-24)30-26(32)15-18-35-27(33)22-10-4-2-5-11-22/h2-14,16,25H,15,17-21H2,1H3,(H,30,32)