N-[1-(1-adamantyl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-[1-(1-adamantyl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-[1-(1-adamantyl)ethyl]-4-(3-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-[1-(1-adamantyl)ethyl]-4-(3-methoxyphenyl)piperazine-1-carbothioamide Formula: C24H35N3OS MolecularWeight: 413.6192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3OS/c1-17(24-14-18-10-19(15-24)12-20(11-18)16-24)25-23(29)27-8-6-26(7-9-27)21-4-3-5-22(13-21)28-2/h3-5,13,17-20H,6-12,14-16H2,1-2H3,(H,25,29)