N-(1,3-benzothiazol-2-ylmethyl)-1-[5,8-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methanamine

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[5,8-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methanamine Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[5,8-dimethoxy-2-(3-methoxyphenyl)-3-quinolyl]methanamine CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[5,8-dimethoxy-2-(3-methoxyphenyl)-3-quinolinyl]methanamine IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-1-[5,8-dimethoxy-2-(3-methoxyphenyl)quinolin-3-yl]methanamine Traditional Name: 1,3-benzothiazol-2-ylmethyl-[[5,8-dimethoxy-2-(3-methoxyphenyl)-3-quinolyl]methyl]amine Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C=C(C(=NC2=C(C=C1)OC)C3=CC(=CC=C3)OC)CNCC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=C2C=C(C(=NC2=C(C=C1)OC)C3=CC(=CC=C3)OC)CNCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H25N3O3S/c1-31-19-8-6-7-17(13-19)26-18(14-20-22(32-2)11-12-23(33-3)27(20)30-26)15-28-16-25-29-21-9-4-5-10-24(21)34-25/h4-14,28H,15-16H2,1-3H3