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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C25H37N3S/c1-2-3-4-18-5-7-23(8-6-18)26-25(29)28-11-9-27(10-12-28)24-21-14-19-13-20(16-21)17-22(24)15-19/h5-8,19-22,24H,2-4,9-17H2,1H3,(H,26,29)