S-[[4-(1-adamantylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate

Systemtic Name: S-[[4-(1-adamantylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate Openeye Name: S-[[4-(1-adamantylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate CAS Name: 1-piperazinecarbothioic acid S-[[4-[(1-adamantylamino)-oxomethoxy]phenyl]methyl] ester IUPAC Name: S-[[4-(1-adamantylcarbamoyloxy)phenyl]methyl] piperazine-1-carbothioate Traditional Name: piperazine-1-carbothioic acid S-[4-(1-adamantylcarbamoyloxy)benzyl] ester Formula: C23H31N3O3S MolecularWeight: 429.57554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)SCC2=CC=C(C=C2)OC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CCN1)C(=O)SCC2=CC=C(C=C2)OC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N3O3S/c27-21(25-23-12-17-9-18(13-23)11-19(10-17)14-23)29-20-3-1-16(2-4-20)15-30-22(28)26-7-5-24-6-8-26/h1-4,17-19,24H,5-15H2,(H,25,27)