2-methylpropyl 4-(2-methylpropanoylcarbamothioylamino)benzoate

Systemtic Name: 2-methylpropyl 4-(2-methylpropanoylcarbamothioylamino)benzoate Openeye Name: isobutyl 4-(2-methylpropanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-(2-methylpropanoylcarbamothioylamino)benzoate Traditional Name: 4-(isobutyrylthiocarbamoylamino)benzoic acid isobutyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-10(2)9-21-15(20)12-5-7-13(8-6-12)17-16(22)18-14(19)11(3)4/h5-8,10-11H,9H2,1-4H3,(H2,17,18,19,22)