2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(4-methyl-2-nitro-phenyl)-2-phenyl-acetamide Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S/c1-14-11-12-16(18(13-14)25(27)28)23-21(26)20(15-7-3-2-4-8-15)30-22-24-17-9-5-6-10-19(17)29-22/h2-13,20H,1H3,(H,23,26)