methyl 4-(3-cyclohexylpropanoylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(3-cyclohexylpropanoylcarbamothioylamino)benzoate Openeye Name: methyl 4-(3-cyclohexylpropanoylcarbamothioylamino)benzoate CAS Name: 4-[[[(3-cyclohexyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(3-cyclohexylpropanoylcarbamothioylamino)benzoate Traditional Name: 4-(3-cyclohexylpropanoylthiocarbamoylamino)benzoic acid methyl ester Formula: C18H24N2O3S MolecularWeight: 348.45976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC2CCCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CCC2CCCCC2

InChI

InChI=1S/C18H24N2O3S/c1-23-17(22)14-8-10-15(11-9-14)19-18(24)20-16(21)12-7-13-5-3-2-4-6-13/h8-11,13H,2-7,12H2,1H3,(H2,19,20,21,24)