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

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-3-(5-chloranyl-2-methoxy-phenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(4-tert-butylphenyl)methyl]-3-(5-chloro-2-methoxy-phenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(4-tert-butylphenyl)methyl]-3-(5-chloro-2-methoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-3-(5-chloro-2-methoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(4-tert-butylbenzyl)-3-(5-chloro-2-methoxy-phenyl)-1-(3-pyridylmethyl)thiourea Formula: C25H28ClN3OS MolecularWeight: 454.02732

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=C(C=CC(=C3)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClN3OS/c1-25(2,3)20-9-7-18(8-10-20)16-29(17-19-6-5-13-27-15-19)24(31)28-22-14-21(26)11-12-23(22)30-4/h5-15H,16-17H2,1-4H3,(H,28,31)