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

Systemtic Name: 3-[(4-chlorophenyl)sulfanylmethyl]-N4-prop-2-enyl-N5-propyl-1,2-oxazole-4,5-dicarboxamide Openeye Name: N4-allyl-3-[(4-chlorophenyl)sulfanylmethyl]-N5-propyl-isoxazole-4,5-dicarboxamide CAS Name: 3-[[(4-chlorophenyl)thio]methyl]-N4-prop-2-enyl-N5-propylisoxazole-4,5-dicarboxamide IUPAC Name: 3-[(4-chlorophenyl)sulfanylmethyl]-4-N-prop-2-enyl-5-N-propyl-1,2-oxazole-4,5-dicarboxamide Traditional Name: N-allyl-3-[[(4-chlorophenyl)thio]methyl]-N'-propyl-isoxazole-4,5-dicarboxamide Formula: C18H20ClN3O3S MolecularWeight: 393.8877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3S/c1-3-9-20-17(23)15-14(11-26-13-7-5-12(19)6-8-13)22-25-16(15)18(24)21-10-4-2/h3,5-8H,1,4,9-11H2,2H3,(H,20,23)(H,21,24)