2-[3-[2-(4-hexylphenoxy)ethoxy]phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[3-[2-(4-hexylphenoxy)ethoxy]phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[3-[2-(4-hexylphenoxy)ethoxy]phenyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[3-[2-(4-hexylphenoxy)ethoxy]phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[3-[2-(4-hexylphenoxy)ethoxy]phenyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[3-[2-(4-hexylphenoxy)ethoxy]phenyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C30H34N2O3S MolecularWeight: 502.66756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)OCCOC2=CC=CC(=C2)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3

InChI

InChI=1S/C30H34N2O3S/c1-2-3-4-5-9-21-14-16-23(17-15-21)34-18-19-35-24-11-8-10-22(20-24)28-31-29(33)27-25-12-6-7-13-26(25)36-30(27)32-28/h8,10-11,14-17,20H,2-7,9,12-13,18-19H2,1H3,(H,31,32,33)