N-(1-adamantyl)-4-[2-oxidanylidene-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide

Systemtic Name: N-(1-adamantyl)-4-[2-oxidanylidene-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide Openeye Name: N-(1-adamantyl)-4-[2-oxo-3-[3-(1-piperidyl)propyl]benzimidazol-1-yl]piperidine-1-carbothioamide CAS Name: N-(1-adamantyl)-4-[2-oxo-3-[3-(1-piperidinyl)propyl]-1-benzimidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(1-adamantyl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide Traditional Name: N-(1-adamantyl)-4-[2-keto-3-(3-piperidinopropyl)benzimidazol-1-yl]piperidine-1-carbothioamide Formula: C31H45N5OS MolecularWeight: 535.7869

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCN2C3=CC=CC=C3N(C2=O)C4CCN(CC4)C(=S)NC56CC7CC(C5)CC(C7)C6

Isomeric SMILES

C1CCN(CC1)CCCN2C3=CC=CC=C3N(C2=O)C4CCN(CC4)C(=S)NC56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C31H45N5OS/c37-30-35(14-6-13-33-11-4-1-5-12-33)27-7-2-3-8-28(27)36(30)26-9-15-34(16-10-26)29(38)32-31-20-23-17-24(21-31)19-25(18-23)22-31/h2-3,7-8,23-26H,1,4-6,9-22H2,(H,32,38)