1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-iodanylphenyl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-iodanylphenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-iodophenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-iodophenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(3-iodophenyl)methyl]thiourea Traditional Name: 1-(3-iodobenzyl)-3-piperonyl-thiourea Formula: C16H15IN2O2S MolecularWeight: 426.27197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCC3=CC(=CC=C3)I

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCC3=CC(=CC=C3)I

InChI

InChI=1S/C16H15IN2O2S/c17-13-3-1-2-11(6-13)8-18-16(22)19-9-12-4-5-14-15(7-12)21-10-20-14/h1-7H,8-10H2,(H2,18,19,22)