N-(3-aminocarbonylthiophen-2-yl)-2-(3-bromophenyl)-6-chloranyl-quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonylthiophen-2-yl)-2-(3-bromophenyl)-6-chloranyl-quinoline-4-carboxamide Openeye Name: 2-(3-bromophenyl)-N-(3-carbamoyl-2-thienyl)-6-chloro-quinoline-4-carboxamide CAS Name: 2-(3-bromophenyl)-N-(3-carbamoyl-2-thiophenyl)-6-chloro-4-quinolinecarboxamide IUPAC Name: 2-(3-bromophenyl)-N-(3-carbamoylthiophen-2-yl)-6-chloroquinoline-4-carboxamide Traditional Name: 2-(3-bromophenyl)-N-(3-carbamoyl-2-thienyl)-6-chloro-cinchoninamide Formula: C21H13BrClN3O2S MolecularWeight: 486.76882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C21H13BrClN3O2S/c22-12-3-1-2-11(8-12)18-10-16(15-9-13(23)4-5-17(15)25-18)20(28)26-21-14(19(24)27)6-7-29-21/h1-10H,(H2,24,27)(H,26,28)