N-[1-(2-methylphenyl)ethyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[1-(2-methylphenyl)ethyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: 2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]-N-[1-(o-tolyl)ethyl]acetamide CAS Name: N-[1-(2-methylphenyl)ethyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide IUPAC Name: N-[1-(2-methylphenyl)ethyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: 2-[(5-nitro-1,3-benzoxazol-2-yl)thio]-N-[1-(o-tolyl)ethyl]acetamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(C)NC(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S/c1-11-5-3-4-6-14(11)12(2)19-17(22)10-26-18-20-15-9-13(21(23)24)7-8-16(15)25-18/h3-9,12H,10H2,1-2H3,(H,19,22)