N-[azanyl-(4-methylpiperazin-1-yl)methylidene]-2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]thiophene-3-carboxamide

Systemtic Name: N-[azanyl-(4-methylpiperazin-1-yl)methylidene]-2-[2-(5-bromanyl-2-methoxy-phenyl)ethyl]thiophene-3-carboxamide Openeye Name: N-[amino-(4-methylpiperazin-1-yl)methylene]-2-[2-(5-bromo-2-methoxy-phenyl)ethyl]thiophene-3-carboxamide CAS Name: N-[amino-(4-methyl-1-piperazinyl)methylidene]-2-[2-(5-bromo-2-methoxyphenyl)ethyl]-3-thiophenecarboxamide IUPAC Name: N-[amino-(4-methylpiperazin-1-yl)methylidene]-2-[2-(5-bromo-2-methoxyphenyl)ethyl]thiophene-3-carboxamide Traditional Name: N-[amino-(4-methylpiperazino)methylene]-2-[2-(5-bromo-2-methoxy-phenyl)ethyl]thiophene-3-carboxamide Formula: C20H25BrN4O2S MolecularWeight: 465.4071

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=NC(=O)C2=C(SC=C2)CCC3=C(C=CC(=C3)Br)OC)N

Isomeric SMILES

CN1CCN(CC1)C(=NC(=O)C2=C(SC=C2)CCC3=C(C=CC(=C3)Br)OC)N

InChI

InChI=1S/C20H25BrN4O2S/c1-24-8-10-25(11-9-24)20(22)23-19(26)16-7-12-28-18(16)6-3-14-13-15(21)4-5-17(14)27-2/h4-5,7,12-13H,3,6,8-11H2,1-2H3,(H2,22,23,26)