ethyl 4-(3-methylbutanoylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(3-methylbutanoylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(3-methylbutanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-methylbutanoylcarbamothioylamino)benzoate Traditional Name: 4-(isovalerylthiocarbamoylamino)benzoic acid ethyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C15H20N2O3S/c1-4-20-14(19)11-5-7-12(8-6-11)16-15(21)17-13(18)9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,16,17,18,21)