N-(6-azanylhexyl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butanamide

Systemtic Name: N-(6-azanylhexyl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butanamide Openeye Name: N-(6-aminohexyl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butanamide CAS Name: N-(6-aminohexyl)-4-[(1,4,5-triphenyl-2-imidazolyl)thio]butanamide IUPAC Name: N-(6-aminohexyl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutanamide Traditional Name: N-(6-aminohexyl)-4-[(1,4,5-triphenylimidazol-2-yl)thio]butyramide Formula: C31H36N4OS MolecularWeight: 512.70874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=N2)SCCCC(=O)NCCCCCCN)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=N2)SCCCC(=O)NCCCCCCN)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H36N4OS/c32-22-12-1-2-13-23-33-28(36)21-14-24-37-31-34-29(25-15-6-3-7-16-25)30(26-17-8-4-9-18-26)35(31)27-19-10-5-11-20-27/h3-11,15-20H,1-2,12-14,21-24,32H2,(H,33,36)