N-(1,3-benzodioxol-5-yl)-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[1-methyl-5-(p-tolyl)imidazol-2-yl]sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[1-methyl-5-(4-methylphenyl)-2-imidazolyl]thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[1-methyl-5-(p-tolyl)imidazol-2-yl]thio]propionamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CN=C(N2C)SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CN=C(N2C)SC(C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

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