2-(3-bromophenyl)-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]quinoline-4-carboxamide

Systemtic Name: 2-(3-bromophenyl)-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-thiophen-2-yl]quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-[3-cyano-5-[diethylamino(oxo)methyl]-4-methyl-2-thiophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-[3-cyano-5-(diethylcarbamoyl)-4-methylthiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-[3-cyano-5-(diethylcarbamoyl)-4-methyl-2-thienyl]cinchoninamide Formula: C27H23BrN4O2S MolecularWeight: 547.46612

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br)C#N)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Br)C#N)C

InChI

InChI=1S/C27H23BrN4O2S/c1-4-32(5-2)27(34)24-16(3)21(15-29)26(35-24)31-25(33)20-14-23(17-9-8-10-18(28)13-17)30-22-12-7-6-11-19(20)22/h6-14H,4-5H2,1-3H3,(H,31,33)