3-cycloheptyl-1-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 3-cycloheptyl-1-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 3-cycloheptyl-1-[(2,3-dimethoxyphenyl)methyl]-1-(2-pyridylmethyl)thiourea CAS Name: 3-cycloheptyl-1-[(2,3-dimethoxyphenyl)methyl]-1-(2-pyridinylmethyl)thiourea IUPAC Name: 3-cycloheptyl-1-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-cycloheptyl-1-o-veratryl-1-(2-pyridylmethyl)thiourea Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S/c1-27-21-14-9-10-18(22(21)28-2)16-26(17-20-13-7-8-15-24-20)23(29)25-19-11-5-3-4-6-12-19/h7-10,13-15,19H,3-6,11-12,16-17H2,1-2H3,(H,25,29)