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

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]acetamide Formula: C21H20N4O4S MolecularWeight: 424.4729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H20N4O4S/c1-13-7-14(2)9-16(8-13)25-6-5-22-21(25)30-11-19(26)24-20(27)23-15-3-4-17-18(10-15)29-12-28-17/h3-10H,11-12H2,1-2H3,(H2,23,24,26,27)