N4-[7-chloranyl-6-(phenylmethylsulfanyl)quinolin-4-yl]-N1,N1-diethyl-pentane-1,4-diamine

Systemtic Name: N4-[7-chloranyl-6-(phenylmethylsulfanyl)quinolin-4-yl]-N1,N1-diethyl-pentane-1,4-diamine Openeye Name: N4-(6-benzylsulfanyl-7-chloro-4-quinolyl)-N1,N1-diethyl-pentane-1,4-diamine CAS Name: N4-[7-chloro-6-(phenylmethylthio)-4-quinolinyl]-N1,N1-diethylpentane-1,4-diamine IUPAC Name: 4-N-(6-benzylsulfanyl-7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine Traditional Name: 4-[[6-(benzylthio)-7-chloro-4-quinolyl]amino]pentyl-diethyl-amine Formula: C25H32ClN3S MolecularWeight: 442.05968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCC(C)NC1=C2C=C(C(=CC2=NC=C1)Cl)SCC3=CC=CC=C3

Isomeric SMILES

CCN(CC)CCCC(C)NC1=C2C=C(C(=CC2=NC=C1)Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C25H32ClN3S/c1-4-29(5-2)15-9-10-19(3)28-23-13-14-27-24-17-22(26)25(16-21(23)24)30-18-20-11-7-6-8-12-20/h6-8,11-14,16-17,19H,4-5,9-10,15,18H2,1-3H3,(H,27,28)