S-[2-[[2-(2-methylpropanoylamino)-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethyl] benzenecarbothioate

Systemtic Name: S-[2-[[2-(2-methylpropanoylamino)-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethyl] benzenecarbothioate Openeye Name: S-[2-[[2-(2-methylpropanoylamino)-3-tritylsulfanyl-propanoyl]amino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[2-[(2-methyl-1-oxopropyl)amino]-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]ethyl] ester IUPAC Name: S-[2-[[2-(2-methylpropanoylamino)-3-tritylsulfanylpropanoyl]amino]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[2-(isobutyrylamino)-3-(tritylthio)propanoyl]amino]ethyl] ester Formula: C35H36N2O3S2 MolecularWeight: 596.80194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCCSC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(=O)NC(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NCCSC(=O)C4=CC=CC=C4

InChI

InChI=1S/C35H36N2O3S2/c1-26(2)32(38)37-31(33(39)36-23-24-41-34(40)27-15-7-3-8-16-27)25-42-35(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-22,26,31H,23-25H2,1-2H3,(H,36,39)(H,37,38)