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

Systemtic Name: 4-(2-adamantyl)-N-(2-ethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-(2-ethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-(2-ethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-(2-ethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-(2-ethylphenyl)piperazine-1-carbothioamide Formula: C23H33N3S MolecularWeight: 383.59322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H33N3S/c1-2-18-5-3-4-6-21(18)24-23(27)26-9-7-25(8-10-26)22-19-12-16-11-17(14-19)15-20(22)13-16/h3-6,16-17,19-20,22H,2,7-15H2,1H3,(H,24,27)