N4-[5-[2,5-bis(chloranyl)phenyl]sulfanyl-6-methoxy-quinolin-8-yl]pentane-1,4-diamine

Systemtic Name: N4-[5-[2,5-bis(chloranyl)phenyl]sulfanyl-6-methoxy-quinolin-8-yl]pentane-1,4-diamine Openeye Name: N4-[5-(2,5-dichlorophenyl)sulfanyl-6-methoxy-8-quinolyl]pentane-1,4-diamine CAS Name: N4-[5-[(2,5-dichlorophenyl)thio]-6-methoxy-8-quinolinyl]pentane-1,4-diamine IUPAC Name: 4-N-[5-(2,5-dichlorophenyl)sulfanyl-6-methoxyquinolin-8-yl]pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-[5-[(2,5-dichlorophenyl)thio]-6-methoxy-8-quinolyl]amine Formula: C21H23Cl2N3OS MolecularWeight: 436.39782

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN)NC1=CC(=C(C2=C1N=CC=C2)SC3=C(C=CC(=C3)Cl)Cl)OC

Isomeric SMILES

CC(CCCN)NC1=CC(=C(C2=C1N=CC=C2)SC3=C(C=CC(=C3)Cl)Cl)OC

InChI

InChI=1S/C21H23Cl2N3OS/c1-13(5-3-9-24)26-17-12-18(27-2)21(15-6-4-10-25-20(15)17)28-19-11-14(22)7-8-16(19)23/h4,6-8,10-13,26H,3,5,9,24H2,1-2H3