1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-4-methyl-phenyl)-1-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-4-methyl-phenyl)-1-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-4-methyl-phenyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-4-methylphenyl)-1-(2-oxolanylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-4-methylphenyl)-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 3-(2-methoxy-4-methyl-phenyl)-1-piperonyl-1-(tetrahydrofurfuryl)thiourea Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N(CC2CCCO2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N(CC2CCCO2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H26N2O4S/c1-15-5-7-18(20(10-15)25-2)23-22(29)24(13-17-4-3-9-26-17)12-16-6-8-19-21(11-16)28-14-27-19/h5-8,10-11,17H,3-4,9,12-14H2,1-2H3,(H,23,29)