N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(m-tolyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(3-methylphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[1-(m-tolyl)imidazol-2-yl]thio]propionamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CN=C2SC(C)C(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SC(C)C(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21N3O3S/c1-14-4-3-5-17(12-14)24-9-8-22-21(24)28-15(2)20(25)23-16-6-7-18-19(13-16)27-11-10-26-18/h3-9,12-13,15H,10-11H2,1-2H3,(H,23,25)