methyl 4-[[(3-methylphenyl)carbamothioylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(3-methylphenyl)carbamothioylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[(m-tolylcarbamothioylamino)carbamothioylamino]butanoate CAS Name: 4-[[[[(3-methylanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(3-methylphenyl)carbamothioylamino]carbamothioylamino]butanoate Traditional Name: 4-[(m-tolylthiocarbamoylamino)thiocarbamoylamino]butyric acid methyl ester Formula: C14H20N4O2S2 MolecularWeight: 340.4642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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