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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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