pentyl 4-(cyclohexylcarbonylcarbamothioylamino)benzoate

Systemtic Name: pentyl 4-(cyclohexylcarbonylcarbamothioylamino)benzoate Openeye Name: pentyl 4-(cyclohexanecarbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[cyclohexyl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid pentyl ester IUPAC Name: pentyl 4-(cyclohexanecarbonylcarbamothioylamino)benzoate Traditional Name: 4-(cyclohexanecarbonylthiocarbamoylamino)benzoic acid amyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3S/c1-2-3-7-14-25-19(24)16-10-12-17(13-11-16)21-20(26)22-18(23)15-8-5-4-6-9-15/h10-13,15H,2-9,14H2,1H3,(H2,21,22,23,26)