1-[3-[(4-bromophenyl)methyl-pyridin-2-yl-amino]propyl]-3-(3-imidazol-1-ylpropyl)thiourea

Systemtic Name: 1-[3-[(4-bromophenyl)methyl-pyridin-2-yl-amino]propyl]-3-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 1-[3-[(4-bromophenyl)methyl-(2-pyridyl)amino]propyl]-3-(3-imidazol-1-ylpropyl)thiourea CAS Name: 1-[3-[(4-bromophenyl)methyl-(2-pyridinyl)amino]propyl]-3-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 1-[3-[(4-bromophenyl)methyl-pyridin-2-ylamino]propyl]-3-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-[3-[(4-bromobenzyl)-(2-pyridyl)amino]propyl]-3-(3-imidazol-1-ylpropyl)thiourea Formula: C22H27BrN6S MolecularWeight: 487.45898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N(CCCNC(=S)NCCCN2C=CN=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=NC(=C1)N(CCCNC(=S)NCCCN2C=CN=C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H27BrN6S/c23-20-8-6-19(7-9-20)17-29(21-5-1-2-10-25-21)15-4-12-27-22(30)26-11-3-14-28-16-13-24-18-28/h1-2,5-10,13,16,18H,3-4,11-12,14-15,17H2,(H2,26,27,30)