N-(3-cyano-5-propan-2-yl-phenyl)-2-(2,3,5-trimethyloctyl)-1,3-thiazinane-3-carbothioamide

Systemtic Name: N-(3-cyano-5-propan-2-yl-phenyl)-2-(2,3,5-trimethyloctyl)-1,3-thiazinane-3-carbothioamide Openeye Name: N-(3-cyano-5-isopropyl-phenyl)-2-(2,3,5-trimethyloctyl)-1,3-thiazinane-3-carbothioamide CAS Name: N-(3-cyano-5-propan-2-ylphenyl)-2-(2,3,5-trimethyloctyl)-1,3-thiazinane-3-carbothioamide IUPAC Name: N-(3-cyano-5-propan-2-ylphenyl)-2-(2,3,5-trimethyloctyl)-1,3-thiazinane-3-carbothioamide Traditional Name: N-(3-cyano-5-isopropyl-phenyl)-2-(2,3,5-trimethyloctyl)-1,3-thiazinane-3-carbothioamide Formula: C26H41N3S2 MolecularWeight: 459.75384

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)CC(C)C(C)CC1N(CCCS1)C(=S)NC2=CC(=CC(=C2)C(C)C)C#N

Isomeric SMILES

CCCC(C)CC(C)C(C)CC1N(CCCS1)C(=S)NC2=CC(=CC(=C2)C(C)C)C#N

InChI

InChI=1S/C26H41N3S2/c1-7-9-19(4)12-20(5)21(6)13-25-29(10-8-11-31-25)26(30)28-24-15-22(17-27)14-23(16-24)18(2)3/h14-16,18-21,25H,7-13H2,1-6H3,(H,28,30)