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1-[4-(dibutylcarbamothioylamino)phenyl]pyrrolidine-2-carboxylic acid

1-[4-(dibutylcarbamothioylamino)phenyl]pyrrolidine-2-carboxylic acid

Systemtic Name:1-[4-(dibutylcarbamothioylamino)phenyl]pyrrolidine-2-carboxylic acid
Openeye Name:1-[4-(dibutylcarbamothioylamino)phenyl]pyrrolidine-2-carboxylic acid
CAS Name:1-[4-[[(dibutylamino)-sulfanylidenemethyl]amino]phenyl]-2-pyrrolidinecarboxylic acid
IUPAC Name:1-[4-(dibutylcarbamothioylamino)phenyl]pyrrolidine-2-carboxylic acid
Traditional Name:1-[4-(dibutylthiocarbamoylamino)phenyl]proline
Formula: C20H31N3O2S
MolecularWeight: 377.54404
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=S)NC1=CC=C(C=C1)N2CCCC2C(=O)O


Isomeric SMILES

CCCCN(CCCC)C(=S)NC1=CC=C(C=C1)N2CCCC2C(=O)O


InChI

InChI=1S/C20H31N3O2S/c1-3-5-13-22(14-6-4-2)20(26)21-16-9-11-17(12-10-16)23-15-7-8-18(23)19(24)25/h9-12,18H,3-8,13-15H2,1-2H3,(H,21,26)(H,24,25)


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