N-(1,3-benzodioxol-5-yl)-3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]sulfanyl]propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[[4,5-bis(p-tolyl)-1H-imidazol-2-yl]thio]propionamide Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=C(N2)SCCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=C(N2)SCCC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C

InChI

InChI=1S/C27H25N3O3S/c1-17-3-7-19(8-4-17)25-26(20-9-5-18(2)6-10-20)30-27(29-25)34-14-13-24(31)28-21-11-12-22-23(15-21)33-16-32-22/h3-12,15H,13-14,16H2,1-2H3,(H,28,31)(H,29,30)