3-cyclooctyl-1-[(2,3-dimethoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]thiourea

Systemtic Name: 3-cyclooctyl-1-[(2,3-dimethoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]thiourea Openeye Name: 3-cyclooctyl-1-[(2,3-dimethoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]thiourea CAS Name: 3-cyclooctyl-1-[(2,3-dimethoxyphenyl)methyl]-1-[(1-ethyl-2-pyrrolidinyl)methyl]thiourea IUPAC Name: 3-cyclooctyl-1-[(2,3-dimethoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]thiourea Traditional Name: 3-cyclooctyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-o-veratryl-thiourea Formula: C25H41N3O2S MolecularWeight: 447.67694

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CN(CC2=C(C(=CC=C2)OC)OC)C(=S)NC3CCCCCCC3

Isomeric SMILES

CCN1CCCC1CN(CC2=C(C(=CC=C2)OC)OC)C(=S)NC3CCCCCCC3

InChI

InChI=1S/C25H41N3O2S/c1-4-27-17-11-15-22(27)19-28(18-20-12-10-16-23(29-2)24(20)30-3)25(31)26-21-13-8-6-5-7-9-14-21/h10,12,16,21-22H,4-9,11,13-15,17-19H2,1-3H3,(H,26,31)