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

Systemtic Name: 4-(2-adamantyl)-N-(2-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-(2-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-(2-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-(2-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-o-phenetyl-piperazine-1-carbothioamide Formula: C23H33N3OS MolecularWeight: 399.59262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H33N3OS/c1-2-27-21-6-4-3-5-20(21)24-23(28)26-9-7-25(8-10-26)22-18-12-16-11-17(14-18)15-19(22)13-16/h3-6,16-19,22H,2,7-15H2,1H3,(H,24,28)