N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-3,3-dimethyl-butanamide Openeye Name: N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-3,3-dimethyl-butanamide CAS Name: N-[2-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]ethyl]-3,3-dimethylbutanamide IUPAC Name: N-[2-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-3,3-dimethylbutanamide Traditional Name: N-[2-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]ethyl]-3,3-dimethyl-butyramide Formula: C27H35N3OS MolecularWeight: 449.6513

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCNC(=O)CC(C)(C)C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=C(N=C1SCCNC(=O)CC(C)(C)C)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H35N3OS/c1-5-6-18-30-25(22-15-11-8-12-16-22)24(21-13-9-7-10-14-21)29-26(30)32-19-17-28-23(31)20-27(2,3)4/h7-16H,5-6,17-20H2,1-4H3,(H,28,31)