pentyl 4-(2,2-dimethylpropanoylcarbamothioylamino)benzoate

Systemtic Name: pentyl 4-(2,2-dimethylpropanoylcarbamothioylamino)benzoate Openeye Name: pentyl 4-(2,2-dimethylpropanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-(2,2-dimethylpropanoylcarbamothioylamino)benzoate Traditional Name: 4-(pivaloylthiocarbamoylamino)benzoic acid amyl ester Formula: C18H26N2O3S MolecularWeight: 350.47564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3S/c1-5-6-7-12-23-15(21)13-8-10-14(11-9-13)19-17(24)20-16(22)18(2,3)4/h8-11H,5-7,12H2,1-4H3,(H2,19,20,22,24)