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

Systemtic Name: 1-[4-[(4-bromophenyl)methyl-pyridin-2-yl-amino]butyl]-3-(3-imidazol-1-ylpropyl)thiourea Openeye Name: 1-[4-[(4-bromophenyl)methyl-(2-pyridyl)amino]butyl]-3-(3-imidazol-1-ylpropyl)thiourea CAS Name: 1-[4-[(4-bromophenyl)methyl-(2-pyridinyl)amino]butyl]-3-[3-(1-imidazolyl)propyl]thiourea IUPAC Name: 1-[4-[(4-bromophenyl)methyl-pyridin-2-ylamino]butyl]-3-(3-imidazol-1-ylpropyl)thiourea Traditional Name: 1-[4-[(4-bromobenzyl)-(2-pyridyl)amino]butyl]-3-(3-imidazol-1-ylpropyl)thiourea Formula: C23H29BrN6S MolecularWeight: 501.48556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN6S/c24-21-9-7-20(8-10-21)18-30(22-6-1-2-11-26-22)16-4-3-12-27-23(31)28-13-5-15-29-17-14-25-19-29/h1-2,6-11,14,17,19H,3-5,12-13,15-16,18H2,(H2,27,28,31)