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

Systemtic Name: N-[2-[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]sulfanylethyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[2-[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]sulfanylethyl]-4-chloro-3-nitro-benzamide CAS Name: N-[2-[[4,5-bis(4-methoxyphenyl)-1-propyl-2-imidazolyl]thio]ethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[2-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylethyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[2-[[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]thio]ethyl]-4-chloro-3-nitro-benzamide Formula: C29H29ClN4O5S MolecularWeight: 581.08236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H29ClN4O5S/c1-4-16-33-27(20-7-12-23(39-3)13-8-20)26(19-5-10-22(38-2)11-6-19)32-29(33)40-17-15-31-28(35)21-9-14-24(30)25(18-21)34(36)37/h5-14,18H,4,15-17H2,1-3H3,(H,31,35)