2-(4-ethyldodecyl)-N-(2-ethyl-3-iodanyl-phenyl)-2H-1,3-benzothiazole-3-carbothioamide

Systemtic Name: 2-(4-ethyldodecyl)-N-(2-ethyl-3-iodanyl-phenyl)-2H-1,3-benzothiazole-3-carbothioamide Openeye Name: 2-(4-ethyldodecyl)-N-(2-ethyl-3-iodo-phenyl)-2H-1,3-benzothiazole-3-carbothioamide CAS Name: 2-(4-ethyldodecyl)-N-(2-ethyl-3-iodophenyl)-2H-1,3-benzothiazole-3-carbothioamide IUPAC Name: 2-(4-ethyldodecyl)-N-(2-ethyl-3-iodophenyl)-2H-1,3-benzothiazole-3-carbothioamide Traditional Name: 2-(4-ethyldodecyl)-N-(2-ethyl-3-iodo-phenyl)-2H-1,3-benzothiazole-3-carbothioamide Formula: C30H43IN2S2 MolecularWeight: 622.71029

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC)CCCC1N(C2=CC=CC=C2S1)C(=S)NC3=C(C(=CC=C3)I)CC

Isomeric SMILES

CCCCCCCCC(CC)CCCC1N(C2=CC=CC=C2S1)C(=S)NC3=C(C(=CC=C3)I)CC

InChI

InChI=1S/C30H43IN2S2/c1-4-7-8-9-10-11-16-23(5-2)17-14-22-29-33(27-20-12-13-21-28(27)35-29)30(34)32-26-19-15-18-25(31)24(26)6-3/h12-13,15,18-21,23,29H,4-11,14,16-17,22H2,1-3H3,(H,32,34)