N-(6-azanylhexyl)-4-(4,5-diphenyl-1-propan-2-yl-imidazol-2-yl)sulfanyl-butanamide

Systemtic Name: N-(6-azanylhexyl)-4-(4,5-diphenyl-1-propan-2-yl-imidazol-2-yl)sulfanyl-butanamide Openeye Name: N-(6-aminohexyl)-4-(1-isopropyl-4,5-diphenyl-imidazol-2-yl)sulfanyl-butanamide CAS Name: N-(6-aminohexyl)-4-[(4,5-diphenyl-1-propan-2-yl-2-imidazolyl)thio]butanamide IUPAC Name: N-(6-aminohexyl)-4-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylbutanamide Traditional Name: N-(6-aminohexyl)-4-[(1-isopropyl-4,5-diphenyl-imidazol-2-yl)thio]butyramide Formula: C28H38N4OS MolecularWeight: 478.69252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=C(N=C1SCCCC(=O)NCCCCCCN)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=C(N=C1SCCCC(=O)NCCCCCCN)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H38N4OS/c1-22(2)32-27(24-16-9-6-10-17-24)26(23-14-7-5-8-15-23)31-28(32)34-21-13-18-25(33)30-20-12-4-3-11-19-29/h5-10,14-17,22H,3-4,11-13,18-21,29H2,1-2H3,(H,30,33)