hexyl 4-(cyclohexylcarbonylcarbamothioylamino)benzoate

Systemtic Name: hexyl 4-(cyclohexylcarbonylcarbamothioylamino)benzoate Openeye Name: hexyl 4-(cyclohexanecarbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[cyclohexyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid hexyl ester IUPAC Name: hexyl 4-(cyclohexanecarbonylcarbamothioylamino)benzoate Traditional Name: 4-(cyclohexanecarbonylthiocarbamoylamino)benzoic acid hexyl ester Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2CCCCC2

Isomeric SMILES

CCCCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2CCCCC2

InChI

InChI=1S/C21H30N2O3S/c1-2-3-4-8-15-26-20(25)17-11-13-18(14-12-17)22-21(27)23-19(24)16-9-6-5-7-10-16/h11-14,16H,2-10,15H2,1H3,(H2,22,23,24,27)