3-(1,3-benzodioxol-5-ylmethyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethylthiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-ethyl-3-piperonyl-thiourea Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1COC2=CC=CC=C2O1)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN(C[C@H]1COC2=CC=CC=C2O1)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O4S/c1-2-22(11-15-12-23-16-5-3-4-6-18(16)26-15)20(27)21-10-14-7-8-17-19(9-14)25-13-24-17/h3-9,15H,2,10-13H2,1H3,(H,21,27)/t15-/m0/s1