3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-ethylbenzofuran-3-yl)methyl]-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-ethyl-3-benzofuranyl)methyl]-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-methylthiourea Traditional Name: 1-[(2-ethylbenzofuran-3-yl)methyl]-1-methyl-3-piperonyl-thiourea Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)CN(C)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)CN(C)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O3S/c1-3-17-16(15-6-4-5-7-18(15)26-17)12-23(2)21(27)22-11-14-8-9-19-20(10-14)25-13-24-19/h4-10H,3,11-13H2,1-2H3,(H,22,27)