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

Systemtic Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-3,3-dimethyl-butanamide Openeye Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-3,3-dimethyl-butanamide CAS Name: N-[3-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]propyl]-3,3-dimethylbutanamide IUPAC Name: N-[3-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-3,3-dimethylbutanamide Traditional Name: N-[3-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]-3,3-dimethyl-butyramide Formula: C28H37N3OS MolecularWeight: 463.67788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3OS/c1-5-6-19-31-26(23-16-11-8-12-17-23)25(22-14-9-7-10-15-22)30-27(31)33-20-13-18-29-24(32)21-28(2,3)4/h7-12,14-17H,5-6,13,18-21H2,1-4H3,(H,29,32)