methyl 6-[(phenylcarbamothioylamino)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(phenylcarbamothioylamino)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(phenylcarbamothioylamino)carbamothioylamino]hexanoate CAS Name: 6-[[[[anilino(sulfanylidene)methyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(phenylcarbamothioylamino)carbamothioylamino]hexanoate Traditional Name: 6-[(phenylthiocarbamoylamino)thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H22N4O2S2 MolecularWeight: 354.49078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC(=S)NC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C15H22N4O2S2/c1-21-13(20)10-6-3-7-11-16-14(22)18-19-15(23)17-12-8-4-2-5-9-12/h2,4-5,8-9H,3,6-7,10-11H2,1H3,(H2,16,18,22)(H2,17,19,23)