N-[2-butylimino-3-(2-ethylhexyl)-5-octoxy-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: N-[2-butylimino-3-(2-ethylhexyl)-5-octoxy-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[2-butylimino-3-(2-ethylhexyl)-5-octoxy-1,3-benzothiazol-6-yl]acetamide CAS Name: N-[2-butylimino-3-(2-ethylhexyl)-5-octoxy-1,3-benzothiazol-6-yl]acetamide IUPAC Name: N-[2-butylimino-3-(2-ethylhexyl)-5-octoxy-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[2-butylimino-3-(2-ethylhexyl)-5-octoxy-1,3-benzothiazol-6-yl]acetamide Formula: C29H49N3O2S MolecularWeight: 503.78326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C2C(=C1)N(C(=NCCCC)S2)CC(CC)CCCC)NC(=O)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C2C(=C1)N(C(=NCCCC)S2)CC(CC)CCCC)NC(=O)C

InChI

InChI=1S/C29H49N3O2S/c1-6-10-13-14-15-16-19-34-27-21-26-28(20-25(27)31-23(5)33)35-29(30-18-12-8-3)32(26)22-24(9-4)17-11-7-2/h20-21,24H,6-19,22H2,1-5H3,(H,31,33)