N-(4-bromanyl-3-methyl-phenyl)-4-pyridin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-pyridin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(2-pyridyl)piperazine-1-carbothioamide Formula: C17H19BrN4S MolecularWeight: 391.32856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N2CCN(CC2)C3=CC=CC=N3)Br

InChI

InChI=1S/C17H19BrN4S/c1-13-12-14(5-6-15(13)18)20-17(23)22-10-8-21(9-11-22)16-4-2-3-7-19-16/h2-7,12H,8-11H2,1H3,(H,20,23)