N-(1-adamantyl)-4-(2-oxidanylidene-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbothioamide

Systemtic Name: N-(1-adamantyl)-4-(2-oxidanylidene-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbothioamide Openeye Name: N-(1-adamantyl)-4-(2-oxo-4-phenyl-oxazolidin-3-yl)piperidine-1-carbothioamide CAS Name: N-(1-adamantyl)-4-(2-oxo-4-phenyl-3-oxazolidinyl)-1-piperidinecarbothioamide IUPAC Name: N-(1-adamantyl)-4-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbothioamide Traditional Name: N-(1-adamantyl)-4-(2-keto-4-phenyl-oxazolidin-3-yl)piperidine-1-carbothioamide Formula: C25H33N3O2S MolecularWeight: 439.61342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(COC2=O)C3=CC=CC=C3)C(=S)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCC1N2C(COC2=O)C3=CC=CC=C3)C(=S)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H33N3O2S/c29-24-28(22(16-30-24)20-4-2-1-3-5-20)21-6-8-27(9-7-21)23(31)26-25-13-17-10-18(14-25)12-19(11-17)15-25/h1-5,17-19,21-22H,6-16H2,(H,26,31)