4-(2-adamantyl)-N-(3-chlorophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-(3-chlorophenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-(3-chlorophenyl)piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-(3-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-(3-chlorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-(3-chlorophenyl)piperazine-1-carbothioamide Formula: C21H28ClN3S MolecularWeight: 389.98512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClN3S/c22-18-2-1-3-19(13-18)23-21(26)25-6-4-24(5-7-25)20-16-9-14-8-15(11-16)12-17(20)10-14/h1-3,13-17,20H,4-12H2,(H,23,26)