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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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