3-(2-chloranylcyclohexen-1-yl)-N-(furan-2-ylmethylcarbamothioyl)-5-methyl-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chloranylcyclohexen-1-yl)-N-(furan-2-ylmethylcarbamothioyl)-5-methyl-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorocyclohexen-1-yl)-N-(2-furylmethylcarbamothioyl)-5-methyl-isoxazole-4-carboxamide CAS Name: 3-(2-chloro-1-cyclohexenyl)-N-[(2-furanylmethylamino)-sulfanylidenemethyl]-5-methyl-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorocyclohexen-1-yl)-N-(furan-2-ylmethylcarbamothioyl)-5-methyl-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorocyclohexen-1-yl)-N-(2-furfurylthiocarbamoyl)-5-methyl-isoxazole-4-carboxamide Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(CCCC2)Cl)C(=O)NC(=S)NCC3=CC=CO3

Isomeric SMILES

CC1=C(C(=NO1)C2=C(CCCC2)Cl)C(=O)NC(=S)NCC3=CC=CO3

InChI

InChI=1S/C17H18ClN3O3S/c1-10-14(15(21-24-10)12-6-2-3-7-13(12)18)16(22)20-17(25)19-9-11-5-4-8-23-11/h4-5,8H,2-3,6-7,9H2,1H3,(H2,19,20,22,25)