N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide Traditional Name: 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]-N-piperonyl-acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(N1)SCC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O3S/c1-14-17(9-15-5-3-2-4-6-15)24-21(23-14)28-12-20(25)22-11-16-7-8-18-19(10-16)27-13-26-18/h2-8,10H,9,11-13H2,1H3,(H,22,25)(H,23,24)