methyl 6-[1-(4-methanethioylphenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate

Systemtic Name: methyl 6-[1-(4-methanethioylphenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate Openeye Name: methyl 6-[1-(4-methanethioylphenyl)-2-phenyl-benzimidazol-5-yl]oxyhexanoate CAS Name: 6-[[1-(4-methanethioylphenyl)-2-phenyl-5-benzimidazolyl]oxy]hexanoic acid methyl ester IUPAC Name: methyl 6-[1-(4-methanethioylphenyl)-2-phenylbenzimidazol-5-yl]oxyhexanoate Traditional Name: 6-[2-phenyl-1-(4-thioformylphenyl)benzimidazol-5-yl]oxyhexanoic acid methyl ester Formula: C27H26N2O3S MolecularWeight: 458.57194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCOC1=CC2=C(C=C1)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C=S

Isomeric SMILES

COC(=O)CCCCCOC1=CC2=C(C=C1)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)C=S

InChI

InChI=1S/C27H26N2O3S/c1-31-26(30)10-6-3-7-17-32-23-15-16-25-24(18-23)28-27(21-8-4-2-5-9-21)29(25)22-13-11-20(19-33)12-14-22/h2,4-5,8-9,11-16,18-19H,3,6-7,10,17H2,1H3