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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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