prop-2-enyl (2S,4S)-2-[(piperazin-1-ylcarbothioylamino)methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: prop-2-enyl (2S,4S)-2-[(piperazin-1-ylcarbothioylamino)methyl]-4-(triphenylmethyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-[(piperazine-1-carbothioylamino)methyl]-4-tritylsulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-2-[[[1-piperazinyl(sulfanylidene)methyl]amino]methyl]-4-[(triphenylmethyl)thio]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-[(piperazine-1-carbothioylamino)methyl]-4-tritylsulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[(piperazine-1-carbothioylamino)methyl]-4-(tritylthio)pyrrolidine-1-carboxylic acid allyl ester Formula: C33H38N4O2S2 MolecularWeight: 586.81042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1CNC(=S)N2CCNCC2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCOC(=O)N1C[C@H](C[C@H]1CNC(=S)N2CCNCC2)SC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H38N4O2S2/c1-2-22-39-32(38)37-25-30(23-29(37)24-35-31(40)36-20-18-34-19-21-36)41-33(26-12-6-3-7-13-26,27-14-8-4-9-15-27)28-16-10-5-11-17-28/h2-17,29-30,34H,1,18-25H2,(H,35,40)/t29-,30-/m0/s1