1-[3-[(4-bromophenyl)methyl-pyridin-2-yl-amino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea

Systemtic Name: 1-[3-[(4-bromophenyl)methyl-pyridin-2-yl-amino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea Openeye Name: 1-[3-[(4-bromophenyl)methyl-(2-pyridyl)amino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea CAS Name: 1-[3-[(4-bromophenyl)methyl-(2-pyridinyl)amino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea IUPAC Name: 1-[3-[(4-bromophenyl)methyl-pyridin-2-ylamino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea Traditional Name: 1-[3-[(4-bromobenzyl)-(2-pyridyl)amino]propyl]-3-[3-(1H-imidazol-5-yl)propyl]thiourea Formula: C22H27BrN6S MolecularWeight: 487.45898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N(CCCNC(=S)NCCCC2=CN=CN2)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=NC(=C1)N(CCCNC(=S)NCCCC2=CN=CN2)CC3=CC=C(C=C3)Br

InChI

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