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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N=C1SCCCCNC(=O)CC(C)(C)C)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=C(N=C1SCCCCNC(=O)CC(C)(C)C)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H37N3OS/c1-5-19-31-26(23-16-10-7-11-17-23)25(22-14-8-6-9-15-22)30-27(31)33-20-13-12-18-29-24(32)21-28(2,3)4/h6-11,14-17H,5,12-13,18-21H2,1-4H3,(H,29,32)