N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-2-chloranyl-2-phenyl-ethanamide

Systemtic Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-2-chloranyl-2-phenyl-ethanamide Openeye Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-2-chloro-2-phenyl-acetamide CAS Name: N-[3-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]propyl]-2-chloro-2-phenylacetamide IUPAC Name: N-[3-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-2-chloro-2-phenylacetamide Traditional Name: N-[3-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]-2-chloro-2-phenyl-acetamide Formula: C30H32ClN3OS MolecularWeight: 518.11258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCCNC(=O)C(C2=CC=CC=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(N=C1SCCCNC(=O)C(C2=CC=CC=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C30H32ClN3OS/c1-2-3-21-34-28(25-18-11-6-12-19-25)27(24-16-9-5-10-17-24)33-30(34)36-22-13-20-32-29(35)26(31)23-14-7-4-8-15-23/h4-12,14-19,26H,2-3,13,20-22H2,1H3,(H,32,35)