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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=S)NC34CC5CC(C3)CC(C5)C4

InChI

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