N-(3-iodanylphenyl)-2-[13-(oxolan-2-yl)tridecyl]-5-propyl-1,3-thiazinane-3-carbothioamide

Systemtic Name: N-(3-iodanylphenyl)-2-[13-(oxolan-2-yl)tridecyl]-5-propyl-1,3-thiazinane-3-carbothioamide Openeye Name: N-(3-iodophenyl)-5-propyl-2-(13-tetrahydrofuran-2-yltridecyl)-1,3-thiazinane-3-carbothioamide CAS Name: N-(3-iodophenyl)-2-[13-(2-oxolanyl)tridecyl]-5-propyl-1,3-thiazinane-3-carbothioamide IUPAC Name: N-(3-iodophenyl)-2-[13-(oxolan-2-yl)tridecyl]-5-propyl-1,3-thiazinane-3-carbothioamide Traditional Name: N-(3-iodophenyl)-5-propyl-2-[13-(tetrahydrofuryl)tridecyl]-1,3-thiazinane-3-carbothioamide Formula: C31H51IN2OS2 MolecularWeight: 658.78391

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CN(C(SC1)CCCCCCCCCCCCCC2CCCO2)C(=S)NC3=CC(=CC=C3)I

Isomeric SMILES

CCCC1CN(C(SC1)CCCCCCCCCCCCCC2CCCO2)C(=S)NC3=CC(=CC=C3)I

InChI

InChI=1S/C31H51IN2OS2/c1-2-16-26-24-34(31(36)33-28-18-14-17-27(32)23-28)30(37-25-26)21-13-11-9-7-5-3-4-6-8-10-12-19-29-20-15-22-35-29/h14,17-18,23,26,29-30H,2-13,15-16,19-22,24-25H2,1H3,(H,33,36)