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

Systemtic Name: S-[2-[[2-acetamido-3-(triphenylmethyl)sulfanyl-propanoyl]amino]ethyl] benzenecarbothioate Openeye Name: S-[2-[(2-acetamido-3-tritylsulfanyl-propanoyl)amino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[2-[[2-acetamido-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]ethyl] ester IUPAC Name: S-[2-[(2-acetamido-3-tritylsulfanylpropanoyl)amino]ethyl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[2-[[2-acetamido-3-(tritylthio)propanoyl]amino]ethyl] ester Formula: C33H32N2O3S2 MolecularWeight: 568.74878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=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(=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/C33H32N2O3S2/c1-25(36)35-30(31(37)34-22-23-39-32(38)26-14-6-2-7-15-26)24-40-33(27-16-8-3-9-17-27,28-18-10-4-11-19-28)29-20-12-5-13-21-29/h2-21,30H,22-24H2,1H3,(H,34,37)(H,35,36)