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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2Cl)C(=S)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2Cl)C(=S)NC34CC5CC(C3)CC(C5)C4

InChI

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