3-cyclooctyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]thiourea

Systemtic Name: 3-cyclooctyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]thiourea Openeye Name: 3-cyclooctyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]thiourea CAS Name: 3-cyclooctyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[(1-ethyl-2-pyrrolidinyl)methyl]thiourea IUPAC Name: 3-cyclooctyl-1-[(3,4-dimethoxyphenyl)methyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]thiourea Traditional Name: 3-cyclooctyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-1-veratryl-thiourea Formula: C25H41N3O2S MolecularWeight: 447.67694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H41N3O2S/c1-4-27-16-10-13-22(27)19-28(18-20-14-15-23(29-2)24(17-20)30-3)25(31)26-21-11-8-6-5-7-9-12-21/h14-15,17,21-22H,4-13,16,18-19H2,1-3H3,(H,26,31)