hexyl 4-(pentanoylcarbamothioylamino)benzoate

Systemtic Name: hexyl 4-(pentanoylcarbamothioylamino)benzoate Openeye Name: hexyl 4-(pentanoylcarbamothioylamino)benzoate CAS Name: 4-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-(pentanoylcarbamothioylamino)benzoate Traditional Name: 4-(valerylthiocarbamoylamino)benzoic acid hexyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCCC

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCCC

InChI

InChI=1S/C19H28N2O3S/c1-3-5-7-8-14-24-18(23)15-10-12-16(13-11-15)20-19(25)21-17(22)9-6-4-2/h10-13H,3-9,14H2,1-2H3,(H2,20,21,22,25)