N5-(phenylmethyl)-3-(phenylsulfanylmethyl)-N4-prop-2-enyl-1,2-oxazole-4,5-dicarboxamide

Systemtic Name: N5-(phenylmethyl)-3-(phenylsulfanylmethyl)-N4-prop-2-enyl-1,2-oxazole-4,5-dicarboxamide Openeye Name: N4-allyl-N5-benzyl-3-(phenylsulfanylmethyl)isoxazole-4,5-dicarboxamide CAS Name: N5-(phenylmethyl)-3-[(phenylthio)methyl]-N4-prop-2-enylisoxazole-4,5-dicarboxamide IUPAC Name: 5-N-benzyl-3-(phenylsulfanylmethyl)-4-N-prop-2-enyl-1,2-oxazole-4,5-dicarboxamide Traditional Name: N-allyl-N'-benzyl-3-[(phenylthio)methyl]isoxazole-4,5-dicarboxamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C1=C(ON=C1CSC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C=CCNC(=O)C1=C(ON=C1CSC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H21N3O3S/c1-2-13-23-21(26)19-18(15-29-17-11-7-4-8-12-17)25-28-20(19)22(27)24-14-16-9-5-3-6-10-16/h2-12H,1,13-15H2,(H,23,26)(H,24,27)