methyl 4-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]butanoate CAS Name: 4-[[[[(2,6-dimethylanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioylamino]butanoate Traditional Name: 4-[[(2,6-dimethylphenyl)thiocarbamoylamino]thiocarbamoylamino]butyric acid methyl ester Formula: C15H22N4O2S2 MolecularWeight: 354.49078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O2S2/c1-10-6-4-7-11(2)13(10)17-15(23)19-18-14(22)16-9-5-8-12(20)21-3/h4,6-7H,5,8-9H2,1-3H3,(H2,16,18,22)(H2,17,19,23)