N-(4-bromanyl-3-methyl-phenyl)-4-cyclohexylcarbonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-cyclohexylcarbonyl-piperazine-1-carbothioamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(cyclohexanecarbonyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-3-methylphenyl)-4-[cyclohexyl(oxo)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(cyclohexanecarbonyl)piperazine-1-carbothioamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(cyclohexanecarbonyl)piperazine-1-carbothioamide Formula: C19H26BrN3OS MolecularWeight: 424.39824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCCC3)Br

InChI

InChI=1S/C19H26BrN3OS/c1-14-13-16(7-8-17(14)20)21-19(25)23-11-9-22(10-12-23)18(24)15-5-3-2-4-6-15/h7-8,13,15H,2-6,9-12H2,1H3,(H,21,25)