N-[2-(4-methoxyphenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S2/c1-25-14-5-2-12(3-6-14)8-9-19-17(22)11-26-18-20-15-7-4-13(21(23)24)10-16(15)27-18/h2-7,10H,8-9,11H2,1H3,(H,19,22)