5-(4-methoxyphenyl)-N-[4-(methylcarbamoylamino)butyl]-4-nitro-3-thiophen-2-yl-1H-pyrrole-2-carboxamide

Systemtic Name: 5-(4-methoxyphenyl)-N-[4-(methylcarbamoylamino)butyl]-4-nitro-3-thiophen-2-yl-1H-pyrrole-2-carboxamide Openeye Name: 5-(4-methoxyphenyl)-N-[4-(methylcarbamoylamino)butyl]-4-nitro-3-(2-thienyl)-1H-pyrrole-2-carboxamide CAS Name: 5-(4-methoxyphenyl)-N-[4-(methylcarbamoylamino)butyl]-4-nitro-3-thiophen-2-yl-1H-pyrrole-2-carboxamide IUPAC Name: 5-(4-methoxyphenyl)-N-[4-(methylcarbamoylamino)butyl]-4-nitro-3-thiophen-2-yl-1H-pyrrole-2-carboxamide Traditional Name: 5-(4-methoxyphenyl)-N-[4-(methylcarbamoylamino)butyl]-4-nitro-3-(2-thienyl)-1H-pyrrole-2-carboxamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NCCCCNC(=O)C1=C(C(=C(N1)C2=CC=C(C=C2)OC)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CNC(=O)NCCCCNC(=O)C1=C(C(=C(N1)C2=CC=C(C=C2)OC)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C22H25N5O5S/c1-23-22(29)25-12-4-3-11-24-21(28)19-17(16-6-5-13-33-16)20(27(30)31)18(26-19)14-7-9-15(32-2)10-8-14/h5-10,13,26H,3-4,11-12H2,1-2H3,(H,24,28)(H2,23,25,29)