2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methyl-5-nitro-phenyl)butanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methyl-5-nitro-phenyl)butanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methyl-5-nitro-phenyl)butanamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(2-methyl-5-nitrophenyl)butanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-methyl-5-nitrophenyl)butanamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(2-methyl-5-nitro-phenyl)butyramide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C)SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C18H17N3O4S/c1-3-16(26-18-20-13-6-4-5-7-15(13)25-18)17(22)19-14-10-12(21(23)24)9-8-11(14)2/h4-10,16H,3H2,1-2H3,(H,19,22)