methyl N'-[3-[(4-bromophenyl)methyl-quinolin-2-yl-amino]propyl]carbamimidothioate

Systemtic Name: methyl N'-[3-[(4-bromophenyl)methyl-quinolin-2-yl-amino]propyl]carbamimidothioate Openeye Name: 3-[3-[(4-bromophenyl)methyl-(2-quinolyl)amino]propyl]-2-methyl-isothiourea CAS Name: N'-[3-[(4-bromophenyl)methyl-(2-quinolinyl)amino]propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[3-[(4-bromophenyl)methyl-quinolin-2-ylamino]propyl]carbamimidothioate Traditional Name: 3-[3-[(4-bromobenzyl)-(2-quinolyl)amino]propyl]-2-methyl-isothiourea Formula: C21H23BrN4S MolecularWeight: 443.40312

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCN(CC1=CC=C(C=C1)Br)C2=NC3=CC=CC=C3C=C2)N

Isomeric SMILES

CSC(=NCCCN(CC1=CC=C(C=C1)Br)C2=NC3=CC=CC=C3C=C2)N

InChI

InChI=1S/C21H23BrN4S/c1-27-21(23)24-13-4-14-26(15-16-7-10-18(22)11-8-16)20-12-9-17-5-2-3-6-19(17)25-20/h2-3,5-12H,4,13-15H2,1H3,(H2,23,24)