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

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carbothioamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-4-(4-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=C(C=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H35N3OS/c1-17(24-14-18-11-19(15-24)13-20(12-18)16-24)25-23(29)27-9-7-26(8-10-27)21-3-5-22(28-2)6-4-21/h3-6,17-20H,7-16H2,1-2H3,(H,25,29)/t17-,18?,19?,20?,24?/m1/s1