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

Systemtic Name: methyl N'-[3-[(4-bromophenyl)methyl-pyridin-2-yl-amino]propyl]carbamimidothioate Openeye Name: 3-[3-[(4-bromophenyl)methyl-(2-pyridyl)amino]propyl]-2-methyl-isothiourea CAS Name: N'-[3-[(4-bromophenyl)methyl-(2-pyridinyl)amino]propyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[3-[(4-bromophenyl)methyl-pyridin-2-ylamino]propyl]carbamimidothioate Traditional Name: 3-[3-[(4-bromobenzyl)-(2-pyridyl)amino]propyl]-2-methyl-isothiourea Formula: C17H21BrN4S MolecularWeight: 393.34444

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NCCCN(CC1=CC=C(C=C1)Br)C2=CC=CC=N2)N

Isomeric SMILES

CSC(=NCCCN(CC1=CC=C(C=C1)Br)C2=CC=CC=N2)N

InChI

InChI=1S/C17H21BrN4S/c1-23-17(19)21-11-4-12-22(16-5-2-3-10-20-16)13-14-6-8-15(18)9-7-14/h2-3,5-10H,4,11-13H2,1H3,(H2,19,21)