(2R)-6-(phenylcarbamothioylamino)-2-(phenylcarbamothioylcarbamothioylamino)hexanoate

Systemtic Name: (2R)-6-(phenylcarbamothioylamino)-2-(phenylcarbamothioylcarbamothioylamino)hexanoate Openeye Name: (2R)-6-(phenylcarbamothioylamino)-2-(phenylcarbamothioylcarbamothioylamino)hexanoate CAS Name: (2R)-6-[[anilino(sulfanylidene)methyl]amino]-2-[[[[anilino(sulfanylidene)methyl]amino]-sulfanylidenemethyl]amino]hexanoate IUPAC Name: (2R)-6-(phenylcarbamothioylamino)-2-(phenylcarbamothioylcarbamothioylamino)hexanoate Traditional Name: (2R)-6-(phenylthiocarbamoylamino)-2-(phenylthiocarbamoylthiocarbamoylamino)hexanoate Formula: C21H24N5O2S3- MolecularWeight: 474.64256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NCCCCC(C(=O)[O-])NC(=S)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NCCCC[C@H](C(=O)[O-])NC(=S)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C21H25N5O2S3/c27-18(28)17(25-21(31)26-20(30)24-16-11-5-2-6-12-16)13-7-8-14-22-19(29)23-15-9-3-1-4-10-15/h1-6,9-12,17H,7-8,13-14H2,(H,27,28)(H2,22,23,29)(H3,24,25,26,30,31)/p-1/t17-/m1/s1