propan-2-yl 4-(3,3-dimethylbutanoylcarbamothioylamino)benzoate

Systemtic Name: propan-2-yl 4-(3,3-dimethylbutanoylcarbamothioylamino)benzoate Openeye Name: isopropyl 4-(3,3-dimethylbutanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(3,3-dimethyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3,3-dimethylbutanoylcarbamothioylamino)benzoate Traditional Name: 4-(3,3-dimethylbutanoylthiocarbamoylamino)benzoic acid isopropyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3S/c1-11(2)22-15(21)12-6-8-13(9-7-12)18-16(23)19-14(20)10-17(3,4)5/h6-9,11H,10H2,1-5H3,(H2,18,19,20,23)