1-[2-[(5-bromanylpyridin-2-yl)-[(3,4-dichlorophenyl)methyl]amino]ethyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea

Systemtic Name: 1-[2-[(5-bromanylpyridin-2-yl)-[(3,4-dichlorophenyl)methyl]amino]ethyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea Openeye Name: 1-[2-[(5-bromo-2-pyridyl)-[(3,4-dichlorophenyl)methyl]amino]ethyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea CAS Name: 1-[2-[(5-bromo-2-pyridinyl)-[(3,4-dichlorophenyl)methyl]amino]ethyl]-3-[3-(1-pyrrolidinyl)propyl]thiourea IUPAC Name: 1-[2-[(5-bromopyridin-2-yl)-[(3,4-dichlorophenyl)methyl]amino]ethyl]-3-(3-pyrrolidin-1-ylpropyl)thiourea Traditional Name: 1-[2-[(5-bromo-2-pyridyl)-(3,4-dichlorobenzyl)amino]ethyl]-3-(3-pyrrolidinopropyl)thiourea Formula: C22H28BrCl2N5S MolecularWeight: 545.36622

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC(=S)NCCN(CC2=CC(=C(C=C2)Cl)Cl)C3=NC=C(C=C3)Br

Isomeric SMILES

C1CCN(C1)CCCNC(=S)NCCN(CC2=CC(=C(C=C2)Cl)Cl)C3=NC=C(C=C3)Br

InChI

InChI=1S/C22H28BrCl2N5S/c23-18-5-7-21(28-15-18)30(16-17-4-6-19(24)20(25)14-17)13-9-27-22(31)26-8-3-12-29-10-1-2-11-29/h4-7,14-15H,1-3,8-13,16H2,(H2,26,27,31)