4-[(2-bromanyl-4-chloranyl-phenyl)amino]-6-methoxy-7-(2-thiomorpholin-4-ylethoxy)quinoline-3-carbonitrile

Systemtic Name: 4-[(2-bromanyl-4-chloranyl-phenyl)amino]-6-methoxy-7-(2-thiomorpholin-4-ylethoxy)quinoline-3-carbonitrile Openeye Name: 4-(2-bromo-4-chloro-anilino)-6-methoxy-7-(2-thiomorpholinoethoxy)quinoline-3-carbonitrile CAS Name: 4-(2-bromo-4-chloroanilino)-6-methoxy-7-(2-thiomorpholin-4-ylethoxy)-3-quinolinecarbonitrile IUPAC Name: 4-(2-bromo-4-chloroanilino)-6-methoxy-7-(2-thiomorpholin-4-ylethoxy)quinoline-3-carbonitrile Traditional Name: 4-(2-bromo-4-chloro-anilino)-6-methoxy-7-(2-thiomorpholinoethoxy)quinoline-3-carbonitrile Formula: C23H22BrClN4O2S MolecularWeight: 533.86838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C(C=C(C=C3)Cl)Br)OCCN4CCSCC4

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=C(C=C(C=C3)Cl)Br)OCCN4CCSCC4

InChI

InChI=1S/C23H22BrClN4O2S/c1-30-21-11-17-20(12-22(21)31-7-4-29-5-8-32-9-6-29)27-14-15(13-26)23(17)28-19-3-2-16(25)10-18(19)24/h2-3,10-12,14H,4-9H2,1H3,(H,27,28)