3-cycloheptyl-1-(pyridin-2-ylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea

Systemtic Name: 3-cycloheptyl-1-(pyridin-2-ylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea Openeye Name: 3-cycloheptyl-1-(2-pyridylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea CAS Name: 3-cycloheptyl-1-(2-pyridinylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea IUPAC Name: 3-cycloheptyl-1-(pyridin-2-ylmethyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea Traditional Name: 3-cycloheptyl-1-(2-pyridylmethyl)-1-(3,4,5-trimethoxybenzyl)thiourea Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN(CC2=CC=CC=N2)C(=S)NC3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN(CC2=CC=CC=N2)C(=S)NC3CCCCCC3

InChI

InChI=1S/C24H33N3O3S/c1-28-21-14-18(15-22(29-2)23(21)30-3)16-27(17-20-12-8-9-13-25-20)24(31)26-19-10-6-4-5-7-11-19/h8-9,12-15,19H,4-7,10-11,16-17H2,1-3H3,(H,26,31)