1-[(4-tert-butylphenyl)methyl]-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-(4-methoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-(4-methoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-(4-methoxyphenyl)-1-(3-pyridylmethyl)thiourea Formula: C25H29N3OS MolecularWeight: 419.58226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H29N3OS/c1-25(2,3)21-9-7-19(8-10-21)17-28(18-20-6-5-15-26-16-20)24(30)27-22-11-13-23(29-4)14-12-22/h5-16H,17-18H2,1-4H3,(H,27,30)