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

Systemtic Name: methyl 4-[[(2-methylphenyl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(2-methylbenzoyl)amino]carbamothioylamino]butanoate CAS Name: 4-[[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2-methylbenzoyl)amino]carbamothioylamino]butanoate Traditional Name: 4-[(o-toluoylamino)thiocarbamoylamino]butyric acid methyl ester Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C14H19N3O3S/c1-10-6-3-4-7-11(10)13(19)16-17-14(21)15-9-5-8-12(18)20-2/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,19)(H2,15,17,21)