methyl 4-[[(2-methylphenyl)carbamothioylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(2-methylphenyl)carbamothioylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[(o-tolylcarbamothioylamino)carbamothioylamino]butanoate CAS Name: 4-[[[[(2-methylanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2-methylphenyl)carbamothioylamino]carbamothioylamino]butanoate Traditional Name: 4-[(o-tolylthiocarbamoylamino)thiocarbamoylamino]butyric acid methyl ester Formula: C14H20N4O2S2 MolecularWeight: 340.4642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C14H20N4O2S2/c1-10-6-3-4-7-11(10)16-14(22)18-17-13(21)15-9-5-8-12(19)20-2/h3-4,6-7H,5,8-9H2,1-2H3,(H2,15,17,21)(H2,16,18,22)