hexyl 4-(thiophen-2-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: hexyl 4-(thiophen-2-ylcarbonylcarbamothioylamino)benzoate Openeye Name: hexyl 4-(thiophene-2-carbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[oxo(thiophen-2-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-(thiophene-2-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(2-thenoylthiocarbamoylamino)benzoic acid hexyl ester Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CS2

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CS2

InChI

InChI=1S/C19H22N2O3S2/c1-2-3-4-5-12-24-18(23)14-8-10-15(11-9-14)20-19(25)21-17(22)16-7-6-13-26-16/h6-11,13H,2-5,12H2,1H3,(H2,20,21,22,25)