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

Systemtic Name: 1-[3-[(4-bromophenyl)methyl-pyridin-2-yl-amino]propyl]-3-[3-(pyridin-2-ylamino)propyl]thiourea Openeye Name: 1-[3-[(4-bromophenyl)methyl-(2-pyridyl)amino]propyl]-3-[3-(2-pyridylamino)propyl]thiourea CAS Name: 1-[3-[(4-bromophenyl)methyl-(2-pyridinyl)amino]propyl]-3-[3-(2-pyridinylamino)propyl]thiourea IUPAC Name: 1-[3-[(4-bromophenyl)methyl-pyridin-2-ylamino]propyl]-3-[3-(pyridin-2-ylamino)propyl]thiourea Traditional Name: 1-[3-[(4-bromobenzyl)-(2-pyridyl)amino]propyl]-3-[3-(2-pyridylamino)propyl]thiourea Formula: C24H29BrN6S MolecularWeight: 513.49626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCCCNC(=S)NCCCN(CC2=CC=C(C=C2)Br)C3=CC=CC=N3

Isomeric SMILES

C1=CC=NC(=C1)NCCCNC(=S)NCCCN(CC2=CC=C(C=C2)Br)C3=CC=CC=N3

InChI

InChI=1S/C24H29BrN6S/c25-21-11-9-20(10-12-21)19-31(23-8-2-4-14-28-23)18-6-17-30-24(32)29-16-5-15-27-22-7-1-3-13-26-22/h1-4,7-14H,5-6,15-19H2,(H,26,27)(H2,29,30,32)