2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-diethylaminoethyl)quinoline-4-carboxamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-diethylaminoethyl)quinoline-4-carboxamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-diethylaminoethyl)quinoline-4-carboxamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(2-diethylaminoethyl)-4-quinolinecarboxamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-diethylaminoethyl)quinoline-4-carboxamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(2-diethylaminoethyl)cinchoninamide Formula: C23H23ClN4OS2 MolecularWeight: 471.03792

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=NC4=C(S3)C=CC(=C4)Cl

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=NC4=C(S3)C=CC(=C4)Cl

InChI

InChI=1S/C23H23ClN4OS2/c1-3-28(4-2)12-11-25-22(29)17-14-21(26-18-8-6-5-7-16(17)18)31-23-27-19-13-15(24)9-10-20(19)30-23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,25,29)