1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-[4-(1-methylimidazol-2-yl)sulfanylphenyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-[4-(1-methylimidazol-2-yl)sulfanylphenyl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-[4-(1-methylimidazol-2-yl)sulfanylphenyl]urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-[4-[(1-methyl-2-imidazolyl)thio]phenyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-[4-(1-methylimidazol-2-yl)sulfanylphenyl]urea Traditional Name: 1-ethyl-3-[4-[(1-methylimidazol-2-yl)thio]phenyl]-1-piperonyl-urea Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)NC3=CC=C(C=C3)SC4=NC=CN4C

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)NC3=CC=C(C=C3)SC4=NC=CN4C

InChI

InChI=1S/C21H22N4O3S/c1-3-25(13-15-4-9-18-19(12-15)28-14-27-18)20(26)23-16-5-7-17(8-6-16)29-21-22-10-11-24(21)2/h4-12H,3,13-14H2,1-2H3,(H,23,26)