N2-(4-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N5-(2-methylsulfanylethyl)quinoline-2,5-diamine

Systemtic Name: N2-(4-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N5-(2-methylsulfanylethyl)quinoline-2,5-diamine Openeye Name: N2-(4-methoxy-2,3-dihydrobenzofuran-3-yl)-N5-(2-methylsulfanylethyl)quinoline-2,5-diamine CAS Name: N2-(4-methoxy-2,3-dihydrobenzofuran-3-yl)-N5-[2-(methylthio)ethyl]quinoline-2,5-diamine IUPAC Name: 2-N-(4-methoxy-2,3-dihydro-1-benzofuran-3-yl)-5-N-(2-methylsulfanylethyl)quinoline-2,5-diamine Traditional Name: (4-methoxycoumaran-3-yl)-[5-[2-(methylthio)ethylamino]-2-quinolyl]amine Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(CO2)NC3=NC4=C(C=C3)C(=CC=C4)NCCSC

Isomeric SMILES

COC1=CC=CC2=C1C(CO2)NC3=NC4=C(C=C3)C(=CC=C4)NCCSC

InChI

InChI=1S/C21H23N3O2S/c1-25-18-7-4-8-19-21(18)17(13-26-19)24-20-10-9-14-15(22-11-12-27-2)5-3-6-16(14)23-20/h3-10,17,22H,11-13H2,1-2H3,(H,23,24)