2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-phenethyl-1,3-oxazole-4-carboxamide

Systemtic Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-phenethyl-1,3-oxazole-4-carboxamide Openeye Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-phenethyl-oxazole-4-carboxamide CAS Name: 2-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-phenethyl-4-oxazolecarboxamide IUPAC Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-phenethyl-1,3-oxazole-4-carboxamide Traditional Name: 2-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-phenethyl-oxazole-4-carboxamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)SCC3=NC(=CO3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)SCC3=NC(=CO3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O3S/c1-14-7-8-18-16(11-14)24-21(27-18)28-13-19-23-17(12-26-19)20(25)22-10-9-15-5-3-2-4-6-15/h2-8,11-12H,9-10,13H2,1H3,(H,22,25)