methyl 4-[[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(3-chloranyl-2-methyl-phenyl)carbamothioylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(3-chloro-2-methyl-phenyl)carbamothioylamino]carbamothioylamino]butanoate CAS Name: 4-[[[[(3-chloro-2-methylanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(3-chloro-2-methylphenyl)carbamothioylamino]carbamothioylamino]butanoate Traditional Name: 4-[[(3-chloro-2-methyl-phenyl)thiocarbamoylamino]thiocarbamoylamino]butyric acid methyl ester Formula: C14H19ClN4O2S2 MolecularWeight: 374.90926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C14H19ClN4O2S2/c1-9-10(15)5-3-6-11(9)17-14(23)19-18-13(22)16-8-4-7-12(20)21-2/h3,5-6H,4,7-8H2,1-2H3,(H2,16,18,22)(H2,17,19,23)