4-bromanyl-N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]benzamide

Systemtic Name: 4-bromanyl-N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]benzamide Openeye Name: 4-bromo-N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]benzamide CAS Name: 4-bromo-N-[3-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]propyl]benzamide IUPAC Name: 4-bromo-N-[3-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]benzamide Traditional Name: 4-bromo-N-[3-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]benzamide Formula: C29H30BrN3OS MolecularWeight: 548.537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30BrN3OS/c1-2-3-20-33-27(23-13-8-5-9-14-23)26(22-11-6-4-7-12-22)32-29(33)35-21-10-19-31-28(34)24-15-17-25(30)18-16-24/h4-9,11-18H,2-3,10,19-21H2,1H3,(H,31,34)