1-(2-bromanyl-3-iodanyl-phenyl)-3-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiourea

Systemtic Name: 1-(2-bromanyl-3-iodanyl-phenyl)-3-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiourea Openeye Name: 1-(2-bromo-3-iodo-phenyl)-3-[3-[1-(1-methylbutyl)-4-piperidyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]thiourea CAS Name: 1-(2-bromo-3-iodophenyl)-3-[3-(1-pentan-2-yl-4-piperidinyl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiourea IUPAC Name: 1-(2-bromo-3-iodophenyl)-3-[3-(1-pentan-2-ylpiperidin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]thiourea Traditional Name: 1-(2-bromo-3-iodo-phenyl)-3-[3-[1-(1-methylbutyl)-4-piperidyl]-1H-pyrrolo[3,2-b]pyridin-5-yl]thiourea Formula: C24H29BrIN5S MolecularWeight: 626.39403

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1CCC(CC1)C2=CNC3=C2N=C(C=C3)NC(=S)NC4=C(C(=CC=C4)I)Br

Isomeric SMILES

CCCC(C)N1CCC(CC1)C2=CNC3=C2N=C(C=C3)NC(=S)NC4=C(C(=CC=C4)I)Br

InChI

InChI=1S/C24H29BrIN5S/c1-3-5-15(2)31-12-10-16(11-13-31)17-14-27-20-8-9-21(29-23(17)20)30-24(32)28-19-7-4-6-18(26)22(19)25/h4,6-9,14-16,27H,3,5,10-13H2,1-2H3,(H2,28,29,30,32)