N4-(7-chloranylquinolin-4-yl)-N1-[(4-methylsulfanylphenyl)methyl]cyclohexane-1,4-diamine

Systemtic Name: N4-(7-chloranylquinolin-4-yl)-N1-[(4-methylsulfanylphenyl)methyl]cyclohexane-1,4-diamine Openeye Name: N4-(7-chloro-4-quinolyl)-N1-[(4-methylsulfanylphenyl)methyl]cyclohexane-1,4-diamine CAS Name: N4-(7-chloro-4-quinolinyl)-N1-[[4-(methylthio)phenyl]methyl]cyclohexane-1,4-diamine IUPAC Name: 4-N-(7-chloroquinolin-4-yl)-1-N-[(4-methylsulfanylphenyl)methyl]cyclohexane-1,4-diamine Traditional Name: (7-chloro-4-quinolyl)-[4-[[4-(methylthio)benzyl]amino]cyclohexyl]amine Formula: C23H26ClN3S MolecularWeight: 411.99064

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC2CCC(CC2)NC3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)CNC2CCC(CC2)NC3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C23H26ClN3S/c1-28-20-9-2-16(3-10-20)15-26-18-5-7-19(8-6-18)27-22-12-13-25-23-14-17(24)4-11-21(22)23/h2-4,9-14,18-19,26H,5-8,15H2,1H3,(H,25,27)