N-(1-adamantyl)-4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidine-1-carbothioamide

Systemtic Name: N-(1-adamantyl)-4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidine-1-carbothioamide Openeye Name: N-(1-adamantyl)-4-[1-[2-(3-thienyl)ethyl]imidazol-2-yl]piperidine-1-carbothioamide CAS Name: N-(1-adamantyl)-4-[1-[2-(3-thiophenyl)ethyl]-2-imidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(1-adamantyl)-4-[1-(2-thiophen-3-ylethyl)imidazol-2-yl]piperidine-1-carbothioamide Traditional Name: N-(1-adamantyl)-4-[1-[2-(3-thienyl)ethyl]imidazol-2-yl]piperidine-1-carbothioamide Formula: C25H34N4S2 MolecularWeight: 454.69426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC=CN2CCC3=CSC=C3)C(=S)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCC1C2=NC=CN2CCC3=CSC=C3)C(=S)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H34N4S2/c30-24(27-25-14-19-11-20(15-25)13-21(12-19)16-25)29-7-2-22(3-8-29)23-26-5-9-28(23)6-1-18-4-10-31-17-18/h4-5,9-10,17,19-22H,1-3,6-8,11-16H2,(H,27,30)