4-(2-adamantyl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-(3-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide Formula: C22H31N3OS MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H31N3OS/c1-26-20-4-2-3-19(14-20)23-22(27)25-7-5-24(6-8-25)21-17-10-15-9-16(12-17)13-18(21)11-15/h2-4,14-18,21H,5-13H2,1H3,(H,23,27)