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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-[(3-methoxyphenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-[(3-methoxyphenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-[(3-methoxyphenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-cyclooctyl-1-[(3-methoxyphenyl)methyl]thiourea Traditional Name: 3-cyclooctyl-1-m-anisyl-1-piperonyl-thiourea Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4CCCCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4CCCCCCC4

InChI

InChI=1S/C25H32N2O3S/c1-28-22-11-7-8-19(14-22)16-27(17-20-12-13-23-24(15-20)30-18-29-23)25(31)26-21-9-5-3-2-4-6-10-21/h7-8,11-15,21H,2-6,9-10,16-18H2,1H3,(H,26,31)