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

Systemtic Name: methyl 6-[[(4-methylphenyl)carbamothioylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[(p-tolylcarbamothioylamino)carbamothioylamino]hexanoate CAS Name: 6-[[[[(4-methylanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(4-methylphenyl)carbamothioylamino]carbamothioylamino]hexanoate Traditional Name: 6-[(p-tolylthiocarbamoylamino)thiocarbamoylamino]hexanoic acid methyl ester Formula: C16H24N4O2S2 MolecularWeight: 368.51736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C16H24N4O2S2/c1-12-7-9-13(10-8-12)18-16(24)20-19-15(23)17-11-5-3-4-6-14(21)22-2/h7-10H,3-6,11H2,1-2H3,(H2,17,19,23)(H2,18,20,24)