4-(2-adamantyl)-N-(4-bromanyl-2-chloranyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-(4-bromanyl-2-chloranyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-(4-bromo-2-chloro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-(4-bromo-2-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-(4-bromo-2-chlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-(4-bromo-2-chloro-phenyl)piperazine-1-carbothioamide Formula: C21H27BrClN3S MolecularWeight: 468.88118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=S)NC5=C(C=C(C=C5)Br)Cl

Isomeric SMILES

C1CN(CCN1C2C3CC4CC(C3)CC2C4)C(=S)NC5=C(C=C(C=C5)Br)Cl

InChI

InChI=1S/C21H27BrClN3S/c22-17-1-2-19(18(23)12-17)24-21(27)26-5-3-25(4-6-26)20-15-8-13-7-14(10-15)11-16(20)9-13/h1-2,12-16,20H,3-11H2,(H,24,27)