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

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)sulfanyl]acetamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(5-nitro-1,3-benzoxazol-2-yl)thio]acetamide Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CSC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)CSC3=NC4=C(O3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O6S/c1-10(11-2-4-15-16(6-11)26-9-25-15)19-17(22)8-28-18-20-13-7-12(21(23)24)3-5-14(13)27-18/h2-7,10H,8-9H2,1H3,(H,19,22)