N-(1,3-benzodioxol-5-yl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]propionamide Formula: C21H21N3O3S MolecularWeight: 395.47474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=CN=C2SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=CN=C2SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21N3O3S/c1-13-4-5-14(2)17(10-13)24-9-8-22-21(24)28-15(3)20(25)23-16-6-7-18-19(11-16)27-12-26-18/h4-11,15H,12H2,1-3H3,(H,23,25)