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

Systemtic Name: methyl 4-[[(2-methylphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(2-methylbenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(2-methylbenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(o-toluoylamino)thiocarbamoylamino]butyric acid methyl ester Formula: C14H17N3O4S MolecularWeight: 323.36748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C14H17N3O4S/c1-9-5-3-4-6-10(9)13(20)16-17-14(22)15-11(18)7-8-12(19)21-2/h3-6H,7-8H2,1-2H3,(H,16,20)(H2,15,17,18,22)