butyl 3-(2-methylpropanoylcarbamothioylamino)benzoate

Systemtic Name: butyl 3-(2-methylpropanoylcarbamothioylamino)benzoate Openeye Name: butyl 3-(2-methylpropanoylcarbamothioylamino)benzoate CAS Name: 3-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-(2-methylpropanoylcarbamothioylamino)benzoate Traditional Name: 3-(isobutyrylthiocarbamoylamino)benzoic acid butyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-4-5-9-21-15(20)12-7-6-8-13(10-12)17-16(22)18-14(19)11(2)3/h6-8,10-11H,4-5,9H2,1-3H3,(H2,17,18,19,22)