methyl 6-[[(phenylmethyl)carbamothioylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(phenylmethyl)carbamothioylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[(benzylcarbamothioylamino)carbamothioylamino]hexanoate CAS Name: 6-[[[[[(phenylmethyl)amino]-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(benzylcarbamothioylamino)carbamothioylamino]hexanoate Traditional Name: 6-[(benzylthiocarbamoylamino)thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H24N4O2S2 MolecularWeight: 368.51736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC(=S)NCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C16H24N4O2S2/c1-22-14(21)10-6-3-7-11-17-15(23)19-20-16(24)18-12-13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-12H2,1H3,(H2,17,19,23)(H2,18,20,24)