methyl 6-[[(2-methoxyphenyl)carbamothioylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2-methoxyphenyl)carbamothioylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(2-methoxyphenyl)carbamothioylamino]carbamothioylamino]hexanoate CAS Name: 6-[[[[(2-methoxyanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2-methoxyphenyl)carbamothioylamino]carbamothioylamino]hexanoate Traditional Name: 6-[[(2-methoxyphenyl)thiocarbamoylamino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H24N4O3S2 MolecularWeight: 384.51676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C16H24N4O3S2/c1-22-13-9-6-5-8-12(13)18-16(25)20-19-15(24)17-11-7-3-4-10-14(21)23-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H2,17,19,24)(H2,18,20,25)