N-[4-[(7-chloranylquinolin-4-yl)amino]butyl]-3-sulfanyl-propanamide

Systemtic Name: N-[4-[(7-chloranylquinolin-4-yl)amino]butyl]-3-sulfanyl-propanamide Openeye Name: N-[4-[(7-chloro-4-quinolyl)amino]butyl]-3-sulfanyl-propanamide CAS Name: N-[4-[(7-chloro-4-quinolinyl)amino]butyl]-3-mercaptopropanamide IUPAC Name: N-[4-[(7-chloroquinolin-4-yl)amino]butyl]-3-sulfanylpropanamide Traditional Name: N-[4-[(7-chloro-4-quinolyl)amino]butyl]-3-mercapto-propionamide Formula: C16H20ClN3OS MolecularWeight: 337.8675

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C=C1Cl)NCCCCNC(=O)CCS

Isomeric SMILES

C1=CC2=C(C=CN=C2C=C1Cl)NCCCCNC(=O)CCS

InChI

InChI=1S/C16H20ClN3OS/c17-12-3-4-13-14(5-9-19-15(13)11-12)18-7-1-2-8-20-16(21)6-10-22/h3-5,9,11,22H,1-2,6-8,10H2,(H,18,19)(H,20,21)