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

Systemtic Name: N-[2-(3-methylphenoxy)ethyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[2-(3-methylphenoxy)ethyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide CAS Name: N-[2-(3-methylphenoxy)ethyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide IUPAC Name: N-[2-(3-methylphenoxy)ethyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-[2-(3-methylphenoxy)ethyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)CSC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S/c1-12-3-2-4-14(9-12)25-8-7-19-17(22)11-27-18-20-15-10-13(21(23)24)5-6-16(15)26-18/h2-6,9-10H,7-8,11H2,1H3,(H,19,22)