N-(4-bromanyl-2-chloranyl-phenyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide Formula: C19H22BrClN4S MolecularWeight: 453.82678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C19H22BrClN4S/c1-14-4-2-5-16(22-14)13-24-8-3-9-25(11-10-24)19(26)23-18-7-6-15(20)12-17(18)21/h2,4-7,12H,3,8-11,13H2,1H3,(H,23,26)