methyl 2-[6-[[2,6-di(propan-2-yl)phenyl]amino]-6-oxidanylidene-hexyl]sulfanyl-3H-benzimidazole-5-carboxylate

Systemtic Name: methyl 2-[6-[[2,6-di(propan-2-yl)phenyl]amino]-6-oxidanylidene-hexyl]sulfanyl-3H-benzimidazole-5-carboxylate Openeye Name: methyl 2-[6-(2,6-diisopropylanilino)-6-oxo-hexyl]sulfanyl-3H-benzimidazole-5-carboxylate CAS Name: 2-[[6-[2,6-di(propan-2-yl)anilino]-6-oxohexyl]thio]-3H-benzimidazole-5-carboxylic acid methyl ester IUPAC Name: methyl 2-[6-[2,6-di(propan-2-yl)anilino]-6-oxohexyl]sulfanyl-3H-benzimidazole-5-carboxylate Traditional Name: 2-[[6-(2,6-diisopropylanilino)-6-keto-hexyl]thio]-3H-benzimidazole-5-carboxylic acid methyl ester Formula: C27H35N3O3S MolecularWeight: 481.6501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCCCCSC2=NC3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCCCCSC2=NC3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C27H35N3O3S/c1-17(2)20-10-9-11-21(18(3)4)25(20)30-24(31)12-7-6-8-15-34-27-28-22-14-13-19(26(32)33-5)16-23(22)29-27/h9-11,13-14,16-18H,6-8,12,15H2,1-5H3,(H,28,29)(H,30,31)