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

Systemtic Name: N-[2-[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]sulfanylethyl]-3-nitro-benzamide Openeye Name: N-[2-[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]sulfanylethyl]-3-nitro-benzamide CAS Name: N-[2-[[4,5-bis(4-methoxyphenyl)-1-propyl-2-imidazolyl]thio]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-3-nitrobenzamide Traditional Name: N-[2-[[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]thio]ethyl]-3-nitro-benzamide Formula: C29H30N4O5S MolecularWeight: 546.6373

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N=C1SCCNC(=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=C1SCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C29H30N4O5S/c1-4-17-32-27(21-10-14-25(38-3)15-11-21)26(20-8-12-24(37-2)13-9-20)31-29(32)39-18-16-30-28(34)22-6-5-7-23(19-22)33(35)36/h5-15,19H,4,16-18H2,1-3H3,(H,30,34)