N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-ethyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-ethyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-ethyl-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[1-(4-bromophenyl)-2-imidazolyl]thio]-N-ethylacetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-ethylacetamide Traditional Name: 2-[[1-(4-bromophenyl)imidazol-2-yl]thio]-N-ethyl-N-piperonyl-acetamide Formula: C21H20BrN3O3S MolecularWeight: 474.3708

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC=CN3C4=CC=C(C=C4)Br

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NC=CN3C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H20BrN3O3S/c1-2-24(12-15-3-8-18-19(11-15)28-14-27-18)20(26)13-29-21-23-9-10-25(21)17-6-4-16(22)5-7-17/h3-11H,2,12-14H2,1H3