(2S)-2,5-bis[(phenylmethyl)carbamothioylamino]pentanoate

Systemtic Name: (2S)-2,5-bis[(phenylmethyl)carbamothioylamino]pentanoate Openeye Name: (2S)-2,5-bis(benzylcarbamothioylamino)pentanoate CAS Name: (2S)-2,5-bis[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]pentanoate IUPAC Name: (2S)-2,5-bis(benzylcarbamothioylamino)pentanoate Traditional Name: (2S)-2,5-bis(benzylthiocarbamoylamino)valerate Formula: C21H25N4O2S2- MolecularWeight: 429.5788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NCCCC(C(=O)[O-])NC(=S)NCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NCCC[C@@H](C(=O)[O-])NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C21H26N4O2S2/c26-19(27)18(25-21(29)24-15-17-10-5-2-6-11-17)12-7-13-22-20(28)23-14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,26,27)(H2,22,23,28)(H2,24,25,29)/p-1/t18-/m0/s1