3-cycloheptyl-1-[(4-methoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea

Systemtic Name: 3-cycloheptyl-1-[(4-methoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea Openeye Name: 3-cycloheptyl-1-[(4-methoxyphenyl)methyl]-1-(2-pyridylmethyl)thiourea CAS Name: 3-cycloheptyl-1-[(4-methoxyphenyl)methyl]-1-(2-pyridinylmethyl)thiourea IUPAC Name: 3-cycloheptyl-1-[(4-methoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)thiourea Traditional Name: 3-cycloheptyl-1-p-anisyl-1-(2-pyridylmethyl)thiourea Formula: C22H29N3OS MolecularWeight: 383.55016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=S)NC3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC=CC=N2)C(=S)NC3CCCCCC3

InChI

InChI=1S/C22H29N3OS/c1-26-21-13-11-18(12-14-21)16-25(17-20-10-6-7-15-23-20)22(27)24-19-8-4-2-3-5-9-19/h6-7,10-15,19H,2-5,8-9,16-17H2,1H3,(H,24,27)