N-(4-bromanyl-3-methyl-phenyl)-4-(oxolan-2-ylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(oxolan-2-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-3-methylphenyl)-4-[oxo(2-oxolanyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide Formula: C17H22BrN3O2S MolecularWeight: 412.34448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N2CCN(CC2)C(=O)C3CCCO3)Br

InChI

InChI=1S/C17H22BrN3O2S/c1-12-11-13(4-5-14(12)18)19-17(24)21-8-6-20(7-9-21)16(22)15-3-2-10-23-15/h4-5,11,15H,2-3,6-10H2,1H3,(H,19,24)