2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]ethanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[(1-methyl-2-imidazolyl)-phenylmethyl]acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[(1-methylimidazol-2-yl)-phenyl-methyl]acetamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

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