pentyl 4-(2-methylpropanoylcarbamothioylamino)benzoate

Systemtic Name: pentyl 4-(2-methylpropanoylcarbamothioylamino)benzoate Openeye Name: pentyl 4-(2-methylpropanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-(2-methylpropanoylcarbamothioylamino)benzoate Traditional Name: 4-(isobutyrylthiocarbamoylamino)benzoic acid amyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3S/c1-4-5-6-11-22-16(21)13-7-9-14(10-8-13)18-17(23)19-15(20)12(2)3/h7-10,12H,4-6,11H2,1-3H3,(H2,18,19,20,23)