methyl 6-[[(4-ethoxyphenyl)carbamothioylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(4-ethoxyphenyl)carbamothioylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(4-ethoxyphenyl)carbamothioylamino]carbamothioylamino]hexanoate CAS Name: 6-[[[[(4-ethoxyanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(4-ethoxyphenyl)carbamothioylamino]carbamothioylamino]hexanoate Traditional Name: 6-[(p-phenetylthiocarbamoylamino)thiocarbamoylamino]hexanoic acid methyl ester Formula: C17H26N4O3S2 MolecularWeight: 398.54334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C17H26N4O3S2/c1-3-24-14-10-8-13(9-11-14)19-17(26)21-20-16(25)18-12-6-4-5-7-15(22)23-2/h8-11H,3-7,12H2,1-2H3,(H2,18,20,25)(H2,19,21,26)