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

Systemtic Name: N-(4-bromanyl-3-chloranyl-phenyl)-4-(oxolan-2-ylcarbonyl)piperazine-1-carbothioamide Openeye Name: N-(4-bromo-3-chloro-phenyl)-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-3-chlorophenyl)-4-[oxo(2-oxolanyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-3-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carbothioamide Traditional Name: N-(4-bromo-3-chloro-phenyl)-4-(tetrahydrofuran-2-carbonyl)piperazine-1-carbothioamide Formula: C16H19BrClN3O2S MolecularWeight: 432.76296

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Br)Cl

Isomeric SMILES

C1CC(OC1)C(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Br)Cl

InChI

InChI=1S/C16H19BrClN3O2S/c17-12-4-3-11(10-13(12)18)19-16(24)21-7-5-20(6-8-21)15(22)14-2-1-9-23-14/h3-4,10,14H,1-2,5-9H2,(H,19,24)