2-[3,5-bis(6-ethoxy-1,3-benzothiazol-2-yl)-1,3,5-triazinan-1-yl]ethanol

Systemtic Name: 2-[3,5-bis(6-ethoxy-1,3-benzothiazol-2-yl)-1,3,5-triazinan-1-yl]ethanol Openeye Name: 2-[3,5-bis(6-ethoxy-1,3-benzothiazol-2-yl)-1,3,5-triazinan-1-yl]ethanol CAS Name: 2-[3,5-bis(6-ethoxy-1,3-benzothiazol-2-yl)-1,3,5-triazinan-1-yl]ethanol IUPAC Name: 2-[3,5-bis(6-ethoxy-1,3-benzothiazol-2-yl)-1,3,5-triazinan-1-yl]ethanol Traditional Name: 2-[3,5-bis(6-ethoxy-1,3-benzothiazol-2-yl)-1,3,5-triazinan-1-yl]ethanol Formula: C23H27N5O3S2 MolecularWeight: 485.62218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CN(CN(C3)C4=NC5=C(S4)C=C(C=C5)OCC)CCO

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CN(CN(C3)C4=NC5=C(S4)C=C(C=C5)OCC)CCO

InChI

InChI=1S/C23H27N5O3S2/c1-3-30-16-5-7-18-20(11-16)32-22(24-18)27-13-26(9-10-29)14-28(15-27)23-25-19-8-6-17(31-4-2)12-21(19)33-23/h5-8,11-12,29H,3-4,9-10,13-15H2,1-2H3