2-(4-tert-butylphenyl)-N-[(E)-1-(5-chloranylthiophen-2-yl)propylideneamino]quinoline-4-carboxamide

Systemtic Name: 2-(4-tert-butylphenyl)-N-[(E)-1-(5-chloranylthiophen-2-yl)propylideneamino]quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-[(E)-1-(5-chloro-2-thienyl)propylideneamino]quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-[(E)-1-(5-chloro-2-thiophenyl)propylideneamino]-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-[(E)-1-(5-chlorothiophen-2-yl)propylideneamino]quinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-[(E)-1-(5-chloro-2-thienyl)propylideneamino]cinchoninamide Formula: C27H26ClN3OS MolecularWeight: 476.03284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C(C)(C)C)C4=CC=C(S4)Cl

Isomeric SMILES

CC/C(=N\NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=C(C=C3)C(C)(C)C)/C4=CC=C(S4)Cl

InChI

InChI=1S/C27H26ClN3OS/c1-5-21(24-14-15-25(28)33-24)30-31-26(32)20-16-23(29-22-9-7-6-8-19(20)22)17-10-12-18(13-11-17)27(2,3)4/h6-16H,5H2,1-4H3,(H,31,32)/b30-21+