N-(1-adamantyl)-4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbothioamide

Systemtic Name: N-(1-adamantyl)-4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbothioamide Openeye Name: N-(1-adamantyl)-4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbothioamide CAS Name: N-(1-adamantyl)-4-[1-[2-(2-ethoxyethoxy)ethyl]-2-imidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(1-adamantyl)-4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbothioamide Traditional Name: N-(1-adamantyl)-4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbothioamide Formula: C25H40N4O2S MolecularWeight: 460.6757

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOCCN1C=CN=C1C2CCN(CC2)C(=S)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOCCOCCN1C=CN=C1C2CCN(CC2)C(=S)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H40N4O2S/c1-2-30-11-12-31-10-9-28-8-5-26-23(28)22-3-6-29(7-4-22)24(32)27-25-16-19-13-20(17-25)15-21(14-19)18-25/h5,8,19-22H,2-4,6-7,9-18H2,1H3,(H,27,32)