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

Systemtic Name: 1-[3-[(4-bromophenyl)methyl-pyridin-2-yl-amino]propyl]-3-(3-imidazol-1-ylpropyl)thiourea dihydrobromide Openeye Name: 1-[3-[(4-bromophenyl)methyl-(2-pyridyl)amino]propyl]-3-(3-imidazol-1-ylpropyl)thiourea dihydrobromide CAS Name: 1-[3-[(4-bromophenyl)methyl-(2-pyridinyl)amino]propyl]-3-[3-(1-imidazolyl)propyl]thiourea dihydrobromide IUPAC Name: 1-[3-[(4-bromophenyl)methyl-pyridin-2-ylamino]propyl]-3-(3-imidazol-1-ylpropyl)thiourea dihydrobromide Traditional Name: 1-[3-[(4-bromobenzyl)-(2-pyridyl)amino]propyl]-3-(3-imidazol-1-ylpropyl)thiourea dihydrobromide Formula: C22H29Br3N6S MolecularWeight: 649.28286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN6S.2BrH/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);2*1H