methyl 4-[[(3-methoxyphenyl)amino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(3-methoxyphenyl)amino]carbamothioylamino]butanoate Openeye Name: methyl 4-[(3-methoxyanilino)carbamothioylamino]butanoate CAS Name: 4-[[[(3-methoxyphenyl)hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(3-methoxyanilino)carbamothioylamino]butanoate Traditional Name: 4-(m-anisidinothiocarbamoylamino)butyric acid methyl ester Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C13H19N3O3S/c1-18-11-6-3-5-10(9-11)15-16-13(20)14-8-4-7-12(17)19-2/h3,5-6,9,15H,4,7-8H2,1-2H3,(H2,14,16,20)