2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,3-dimethyl-6-nitro-phenyl)propanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,3-dimethyl-6-nitro-phenyl)propanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,3-dimethyl-6-nitro-phenyl)propanamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-(2,3-dimethyl-6-nitrophenyl)propanamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2,3-dimethyl-6-nitrophenyl)propanamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-(2,3-dimethyl-6-nitro-phenyl)propionamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(C)SC2=NC3=CC=CC=C3O2)C

InChI

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