1-[(4-tert-butylphenyl)methyl]-3-(2-methoxy-5-methyl-phenyl)-1-(pyridin-3-ylmethyl)thiourea

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-methoxy-5-methyl-phenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-methoxy-5-methyl-phenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-methoxy-5-methylphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-(2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-(2-methoxy-5-methyl-phenyl)-1-(3-pyridylmethyl)thiourea Formula: C26H31N3OS MolecularWeight: 433.60884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N(CC2=CC=C(C=C2)C(C)(C)C)CC3=CN=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N(CC2=CC=C(C=C2)C(C)(C)C)CC3=CN=CC=C3

InChI

InChI=1S/C26H31N3OS/c1-19-8-13-24(30-5)23(15-19)28-25(31)29(18-21-7-6-14-27-16-21)17-20-9-11-22(12-10-20)26(2,3)4/h6-16H,17-18H2,1-5H3,(H,28,31)