1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(2-oxolanylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxyphenyl)-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 3-(3-methoxyphenyl)-1-piperonyl-1-(tetrahydrofurfuryl)thiourea Formula: C21H24N2O4S MolecularWeight: 400.49126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N(CC2CCCO2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N(CC2CCCO2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O4S/c1-24-17-5-2-4-16(11-17)22-21(28)23(13-18-6-3-9-25-18)12-15-7-8-19-20(10-15)27-14-26-19/h2,4-5,7-8,10-11,18H,3,6,9,12-14H2,1H3,(H,22,28)