butyl 4-(2-acetyloxypropanoylcarbamothioylamino)benzoate

Systemtic Name: butyl 4-(2-acetyloxypropanoylcarbamothioylamino)benzoate Openeye Name: butyl 4-(2-acetoxypropanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(2-acetyloxy-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(2-acetyloxypropanoylcarbamothioylamino)benzoate Traditional Name: 4-(2-acetoxypropanoylthiocarbamoylamino)benzoic acid butyl ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5S/c1-4-5-10-23-16(22)13-6-8-14(9-7-13)18-17(25)19-15(21)11(2)24-12(3)20/h6-9,11H,4-5,10H2,1-3H3,(H2,18,19,21,25)