N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)-3-methyl-quinoline-4-carboxamide

Systemtic Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: 2-(2,4-dichlorophenyl)-3-methyl-N-[4-(4-sec-butylphenyl)thiazol-2-yl]quinoline-4-carboxamide CAS Name: N-[4-(4-butan-2-ylphenyl)-2-thiazolyl]-2-(2,4-dichlorophenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide Traditional Name: 2-(2,4-dichlorophenyl)-3-methyl-N-[4-(4-sec-butylphenyl)thiazol-2-yl]cinchoninamide Formula: C30H25Cl2N3OS MolecularWeight: 546.51

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=C(C=C(C=C5)Cl)Cl)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C(=NC4=CC=CC=C43)C5=C(C=C(C=C5)Cl)Cl)C

InChI

InChI=1S/C30H25Cl2N3OS/c1-4-17(2)19-9-11-20(12-10-19)26-16-37-30(34-26)35-29(36)27-18(3)28(22-14-13-21(31)15-24(22)32)33-25-8-6-5-7-23(25)27/h5-17H,4H2,1-3H3,(H,34,35,36)