3-[(4-chlorophenyl)sulfanylmethyl]-N4-propan-2-yl-N5-propyl-1,2-oxazole-4,5-dicarboxamide

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N4-propan-2-yl-N5-propyl-1,2-oxazole-4,5-dicarboxamide Openeye Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N4-isopropyl-N5-propyl-isoxazole-4,5-dicarboxamide CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-N4-propan-2-yl-N5-propylisoxazole-4,5-dicarboxamide IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-N-propan-2-yl-5-N-propyl-1,2-oxazole-4,5-dicarboxamide Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]-N-isopropyl-N'-propyl-isoxazole-4,5-dicarboxamide Formula: C18H22ClN3O3S MolecularWeight: 395.90358

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)Cl)C(=O)NC(C)C

Isomeric SMILES

CCCNC(=O)C1=C(C(=NO1)CSC2=CC=C(C=C2)Cl)C(=O)NC(C)C

InChI

InChI=1S/C18H22ClN3O3S/c1-4-9-20-18(24)16-15(17(23)21-11(2)3)14(22-25-16)10-26-13-7-5-12(19)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,20,24)(H,21,23)