N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carbothioamide Formula: C23H32FN3S MolecularWeight: 401.583683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=S)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C23H32FN3S/c1-16(23-13-17-10-18(14-23)12-19(11-17)15-23)25-22(28)27-8-6-26(7-9-27)21-4-2-20(24)3-5-21/h2-5,16-19H,6-15H2,1H3,(H,25,28)/t16-,17?,18?,19?,23?/m1/s1