methyl 4-[(3-methylbutanoylamino)carbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3-methylbutanoylamino)carbamothioylamino]benzoate Openeye Name: methyl 4-[(3-methylbutanoylamino)carbamothioylamino]benzoate CAS Name: 4-[[[(3-methyl-1-oxobutyl)hydrazo]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-methylbutanoylamino)carbamothioylamino]benzoate Traditional Name: 4-[(isovalerylamino)thiocarbamoylamino]benzoic acid methyl ester Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NNC(=S)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CC(C)CC(=O)NNC(=S)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C14H19N3O3S/c1-9(2)8-12(18)16-17-14(21)15-11-6-4-10(5-7-11)13(19)20-3/h4-7,9H,8H2,1-3H3,(H,16,18)(H2,15,17,21)