N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[2-[(5-bromo-2-thiophenyl)methylthio]ethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[2-[(5-bromo-2-thienyl)methylthio]ethyl]-4-morpholino-3-nitro-benzamide Formula: C18H20BrN3O4S2 MolecularWeight: 486.4031

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NCCSCC3=CC=C(S3)Br)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NCCSCC3=CC=C(S3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H20BrN3O4S2/c19-17-4-2-14(28-17)12-27-10-5-20-18(23)13-1-3-15(16(11-13)22(24)25)21-6-8-26-9-7-21/h1-4,11H,5-10,12H2,(H,20,23)