N-[3-[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]sulfanylpropyl]-4-nitro-benzamide

Systemtic Name: N-[3-[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]sulfanylpropyl]-4-nitro-benzamide Openeye Name: N-[3-[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]sulfanylpropyl]-4-nitro-benzamide CAS Name: N-[3-[[4,5-bis(4-methoxyphenyl)-1-propyl-2-imidazolyl]thio]propyl]-4-nitrobenzamide IUPAC Name: N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]-4-nitrobenzamide Traditional Name: N-[3-[[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]thio]propyl]-4-nitro-benzamide Formula: C30H32N4O5S MolecularWeight: 560.66388

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N=C1SCCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCN1C(=C(N=C1SCCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C30H32N4O5S/c1-4-19-33-28(22-10-16-26(39-3)17-11-22)27(21-8-14-25(38-2)15-9-21)32-30(33)40-20-5-18-31-29(35)23-6-12-24(13-7-23)34(36)37/h6-17H,4-5,18-20H2,1-3H3,(H,31,35)