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

Systemtic Name: prop-2-enyl (2S,4S)-2-[(piperazin-1-ylcarbothioylamino)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: allyl (2S,4S)-2-[(piperazine-1-carbothioylamino)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[[[1-piperazinyl(sulfanylidene)methyl]amino]methyl]-1-pyrrolidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S,4S)-2-[(piperazine-1-carbothioylamino)methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-[(piperazine-1-carbothioylamino)methyl]pyrrolidine-1-carboxylic acid allyl ester Formula: C14H24N4O2S2 MolecularWeight: 344.49596

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC(=O)N1CC(CC1CNC(=S)N2CCNCC2)S

Isomeric SMILES

C=CCOC(=O)N1C[C@H](C[C@H]1CNC(=S)N2CCNCC2)S

InChI

InChI=1S/C14H24N4O2S2/c1-2-7-20-14(19)18-10-12(21)8-11(18)9-16-13(22)17-5-3-15-4-6-17/h2,11-12,15,21H,1,3-10H2,(H,16,22)/t11-,12-/m0/s1