butyl 4-(butanoylcarbamothioylamino)benzoate

Systemtic Name: butyl 4-(butanoylcarbamothioylamino)benzoate Openeye Name: butyl 4-(butanoylcarbamothioylamino)benzoate CAS Name: 4-[[(1-oxobutylamino)-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(butanoylcarbamothioylamino)benzoate Traditional Name: 4-(butyrylthiocarbamoylamino)benzoic acid butyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-3-5-11-21-15(20)12-7-9-13(10-8-12)17-16(22)18-14(19)6-4-2/h7-10H,3-6,11H2,1-2H3,(H2,17,18,19,22)