N-[3-[(7-chloranylquinolin-4-yl)amino]propyl]-2-phenylsulfanyl-benzamide

Systemtic Name: N-[3-[(7-chloranylquinolin-4-yl)amino]propyl]-2-phenylsulfanyl-benzamide Openeye Name: N-[3-[(7-chloro-4-quinolyl)amino]propyl]-2-phenylsulfanyl-benzamide CAS Name: N-[3-[(7-chloro-4-quinolinyl)amino]propyl]-2-(phenylthio)benzamide IUPAC Name: N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-phenylsulfanylbenzamide Traditional Name: N-[3-[(7-chloro-4-quinolyl)amino]propyl]-2-(phenylthio)benzamide Formula: C25H22ClN3OS MolecularWeight: 447.97968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2C(=O)NCCCNC3=C4C=CC(=CC4=NC=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2C(=O)NCCCNC3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C25H22ClN3OS/c26-18-11-12-20-22(13-16-28-23(20)17-18)27-14-6-15-29-25(30)21-9-4-5-10-24(21)31-19-7-2-1-3-8-19/h1-5,7-13,16-17H,6,14-15H2,(H,27,28)(H,29,30)