N-(6-azanylhexyl)-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-butanamide

Systemtic Name: N-(6-azanylhexyl)-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-butanamide Openeye Name: N-(6-aminohexyl)-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanyl-butanamide CAS Name: N-(6-aminohexyl)-4-[[1-ethyl-4,5-bis(4-methoxyphenyl)-2-imidazolyl]thio]butanamide IUPAC Name: N-(6-aminohexyl)-4-[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]sulfanylbutanamide Traditional Name: N-(6-aminohexyl)-4-[[1-ethyl-4,5-bis(4-methoxyphenyl)imidazol-2-yl]thio]butyramide Formula: C29H40N4O3S MolecularWeight: 524.7179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCC(=O)NCCCCCCN)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=C(N=C1SCCCC(=O)NCCCCCCN)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C29H40N4O3S/c1-4-33-28(23-13-17-25(36-3)18-14-23)27(22-11-15-24(35-2)16-12-22)32-29(33)37-21-9-10-26(34)31-20-8-6-5-7-19-30/h11-18H,4-10,19-21,30H2,1-3H3,(H,31,34)