3-(2-chloroethyl)-2-methyl-N-(3-methylsulfanylphenyl)-6-phenoxy-quinolin-4-amine

Systemtic Name: 3-(2-chloroethyl)-2-methyl-N-(3-methylsulfanylphenyl)-6-phenoxy-quinolin-4-amine Openeye Name: 3-(2-chloroethyl)-2-methyl-N-(3-methylsulfanylphenyl)-6-phenoxy-quinolin-4-amine CAS Name: 3-(2-chloroethyl)-2-methyl-N-[3-(methylthio)phenyl]-6-phenoxy-4-quinolinamine IUPAC Name: 3-(2-chloroethyl)-2-methyl-N-(3-methylsulfanylphenyl)-6-phenoxyquinolin-4-amine Traditional Name: [3-(2-chloroethyl)-2-methyl-6-phenoxy-4-quinolyl]-[3-(methylthio)phenyl]amine Formula: C25H23ClN2OS MolecularWeight: 434.98092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC3=CC=CC=C3)C(=C1CCCl)NC4=CC(=CC=C4)SC

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC3=CC=CC=C3)C(=C1CCCl)NC4=CC(=CC=C4)SC

InChI

InChI=1S/C25H23ClN2OS/c1-17-22(13-14-26)25(28-18-7-6-10-21(15-18)30-2)23-16-20(11-12-24(23)27-17)29-19-8-4-3-5-9-19/h3-12,15-16H,13-14H2,1-2H3,(H,27,28)