1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-(2-oxolanylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 3-(4-bromophenyl)-1-piperonyl-1-(tetrahydrofurfuryl)thiourea Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1CC(OC1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H21BrN2O3S/c21-15-4-6-16(7-5-15)22-20(27)23(12-17-2-1-9-24-17)11-14-3-8-18-19(10-14)26-13-25-18/h3-8,10,17H,1-2,9,11-13H2,(H,22,27)