3-(1,3-benzodioxol-5-ylcarbonylamino)-1-[(2-methoxyphenyl)methyl]-1-(thiophen-2-ylmethyl)urea

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonylamino)-1-[(2-methoxyphenyl)methyl]-1-(thiophen-2-ylmethyl)urea Openeye Name: 3-(1,3-benzodioxole-5-carbonylamino)-1-[(2-methoxyphenyl)methyl]-1-(2-thienylmethyl)urea CAS Name: 3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-[(2-methoxyphenyl)methyl]-1-(thiophen-2-ylmethyl)urea IUPAC Name: 3-(1,3-benzodioxole-5-carbonylamino)-1-[(2-methoxyphenyl)methyl]-1-(thiophen-2-ylmethyl)urea Traditional Name: 1-o-anisyl-3-(piperonyloylamino)-1-(2-thenyl)urea Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(CC2=CC=CS2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1CN(CC2=CC=CS2)C(=O)NNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21N3O5S/c1-28-18-7-3-2-5-16(18)12-25(13-17-6-4-10-31-17)22(27)24-23-21(26)15-8-9-19-20(11-15)30-14-29-19/h2-11H,12-14H2,1H3,(H,23,26)(H,24,27)