N-[2-oxidanylidene-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl]piperidine-1-carbothioamide

Systemtic Name: N-[2-oxidanylidene-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl]piperidine-1-carbothioamide Openeye Name: N-[2-oxo-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl]piperidine-1-carbothioamide CAS Name: N-[2-oxo-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl]-1-piperidinecarbothioamide IUPAC Name: N-[2-oxo-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl]piperidine-1-carbothioamide Traditional Name: N-[2-keto-2-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)ethyl]piperidine-1-carbothioamide Formula: C26H33N3OS MolecularWeight: 435.62472

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(C2=CC=CC=C2N1C(=O)CNC(=S)N3CCCCC3)(C)C4=CC=CC=C4)C

Isomeric SMILES

CC1(CC(C2=CC=CC=C2N1C(=O)CNC(=S)N3CCCCC3)(C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H33N3OS/c1-25(2)19-26(3,20-12-6-4-7-13-20)21-14-8-9-15-22(21)29(25)23(30)18-27-24(31)28-16-10-5-11-17-28/h4,6-9,12-15H,5,10-11,16-19H2,1-3H3,(H,27,31)