4-(2-adamantyl)-N-(4-bromophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-(4-bromophenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-(4-bromophenyl)piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-(4-bromophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-(4-bromophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-(4-bromophenyl)piperazine-1-carbothioamide Formula: C21H28BrN3S MolecularWeight: 434.43612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrN3S/c22-18-1-3-19(4-2-18)23-21(26)25-7-5-24(6-8-25)20-16-10-14-9-15(12-16)13-17(20)11-14/h1-4,14-17,20H,5-13H2,(H,23,26)