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

Systemtic Name: N4-[5-(2-chlorophenyl)sulfanyl-6-methoxy-quinolin-8-yl]pentane-1,4-diamine Openeye Name: N4-[5-(2-chlorophenyl)sulfanyl-6-methoxy-8-quinolyl]pentane-1,4-diamine CAS Name: N4-[5-[(2-chlorophenyl)thio]-6-methoxy-8-quinolinyl]pentane-1,4-diamine IUPAC Name: 4-N-[5-(2-chlorophenyl)sulfanyl-6-methoxyquinolin-8-yl]pentane-1,4-diamine Traditional Name: (4-amino-1-methyl-butyl)-[5-[(2-chlorophenyl)thio]-6-methoxy-8-quinolyl]amine Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCN)NC1=CC(=C(C2=C1N=CC=C2)SC3=CC=CC=C3Cl)OC

Isomeric SMILES

CC(CCCN)NC1=CC(=C(C2=C1N=CC=C2)SC3=CC=CC=C3Cl)OC

InChI

InChI=1S/C21H24ClN3OS/c1-14(7-5-11-23)25-17-13-18(26-2)21(15-8-6-12-24-20(15)17)27-19-10-4-3-9-16(19)22/h3-4,6,8-10,12-14,25H,5,7,11,23H2,1-2H3