4-(2-adamantyl)-N-(4-butan-2-ylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-(4-butan-2-ylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-(4-butan-2-ylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-(4-butan-2-ylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-(4-sec-butylphenyl)piperazine-1-carbothioamide Formula: C25H37N3S MolecularWeight: 411.64638

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C25H37N3S/c1-3-17(2)20-4-6-23(7-5-20)26-25(29)28-10-8-27(9-11-28)24-21-13-18-12-19(15-21)16-22(24)14-18/h4-7,17-19,21-22,24H,3,8-16H2,1-2H3,(H,26,29)