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

Systemtic Name: methyl N'-[3-[(4-bromophenyl)methyl-quinolin-2-yl-amino]propyl]-N-(phenylcarbonyl)carbamimidothioate Openeye Name: N-[N-[3-[(4-bromophenyl)methyl-(2-quinolyl)amino]propyl]-C-methylsulfanyl-carbonimidoyl]benzamide CAS Name: N-benzoyl-N'-[3-[(4-bromophenyl)methyl-(2-quinolinyl)amino]propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N-benzoyl-N'-[3-[(4-bromophenyl)methyl-quinolin-2-ylamino]propyl]carbamimidothioate Traditional Name: N-[N-[3-[(4-bromobenzyl)-(2-quinolyl)amino]propyl]-C-(methylthio)carbonimidoyl]benzamide Formula: C28H27BrN4OS MolecularWeight: 547.50918

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCN(CC1=CC=C(C=C1)Br)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CSC(=NCCCN(CC1=CC=C(C=C1)Br)C2=NC3=CC=CC=C3C=C2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H27BrN4OS/c1-35-28(32-27(34)23-9-3-2-4-10-23)30-18-7-19-33(20-21-12-15-24(29)16-13-21)26-17-14-22-8-5-6-11-25(22)31-26/h2-6,8-17H,7,18-20H2,1H3,(H,30,32,34)