4-(2-adamantyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-adamantyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-adamantyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(2-adamantyl)-N-(3,5-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-adamantyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-adamantyl)-N-(3,5-dimethylphenyl)piperazine-1-carbothioamide Formula: C23H33N3S MolecularWeight: 383.59322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCN(CC2)C3C4CC5CC(C4)CC3C5)C

InChI

InChI=1S/C23H33N3S/c1-15-7-16(2)9-21(8-15)24-23(27)26-5-3-25(4-6-26)22-19-11-17-10-18(13-19)14-20(22)12-17/h7-9,17-20,22H,3-6,10-14H2,1-2H3,(H,24,27)