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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H32N4O5S/c1-4-18-33-28(22-11-15-26(39-3)16-12-22)27(21-9-13-25(38-2)14-10-21)32-30(33)40-19-6-17-31-29(35)23-7-5-8-24(20-23)34(36)37/h5,7-16,20H,4,6,17-19H2,1-3H3,(H,31,35)