N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-2-p-phenetyl-cinchoninamide Formula: C25H18ClN3O2S MolecularWeight: 459.94732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NC5=C(S4)C=C(C=C5)Cl

InChI

InChI=1S/C25H18ClN3O2S/c1-2-31-17-10-7-15(8-11-17)22-14-19(18-5-3-4-6-20(18)27-22)24(30)29-25-28-21-12-9-16(26)13-23(21)32-25/h3-14H,2H2,1H3,(H,28,29,30)