4-(1-adamantyl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(1-adamantyl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-(1-adamantyl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-(1-adamantyl)-N-[3-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(1-adamantyl)-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-(1-adamantyl)-N-[3-(methylthio)phenyl]piperazine-1-carboxamide Formula: C22H31N3OS MolecularWeight: 385.56604

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCN(CC2)C34CC5CC(C3)CC(C5)C4

InChI

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