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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(3-chlorophenyl)methyl]-3-cyclooctyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(3-chlorophenyl)methyl]-3-cyclooctyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(3-chlorophenyl)methyl]-3-cyclooctylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(3-chlorophenyl)methyl]-3-cyclooctylthiourea Traditional Name: 1-(3-chlorobenzyl)-3-cyclooctyl-1-piperonyl-thiourea Formula: C24H29ClN2O2S MolecularWeight: 445.01726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=S)N(CC2=CC(=CC=C2)Cl)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCC(CCC1)NC(=S)N(CC2=CC(=CC=C2)Cl)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H29ClN2O2S/c25-20-8-6-7-18(13-20)15-27(16-19-11-12-22-23(14-19)29-17-28-22)24(30)26-21-9-4-2-1-3-5-10-21/h6-8,11-14,21H,1-5,9-10,15-17H2,(H,26,30)