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

Systemtic Name: N-[3-[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]sulfanylpropyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[3-[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]sulfanylpropyl]-4-chloro-3-nitro-benzamide CAS Name: N-[3-[[4,5-bis(4-methoxyphenyl)-1-propyl-2-imidazolyl]thio]propyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[3-[4,5-bis(4-methoxyphenyl)-1-propylimidazol-2-yl]sulfanylpropyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[3-[[4,5-bis(4-methoxyphenyl)-1-propyl-imidazol-2-yl]thio]propyl]-4-chloro-3-nitro-benzamide Formula: C30H31ClN4O5S MolecularWeight: 595.10894

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N=C1SCCCNC(=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=C1SCCCNC(=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/C30H31ClN4O5S/c1-4-17-34-28(21-8-13-24(40-3)14-9-21)27(20-6-11-23(39-2)12-7-20)33-30(34)41-18-5-16-32-29(36)22-10-15-25(31)26(19-22)35(37)38/h6-15,19H,4-5,16-18H2,1-3H3,(H,32,36)