N-[4-[3-(3-bromophenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[4-[3-(3-bromophenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]thiophene-2-carboxamide Openeye Name: N-[4-[3-(3-bromophenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]thiophene-2-carboxamide CAS Name: N-[4-[3-(3-bromophenyl)-2,1-benzoxazol-5-yl]-2-pyrimidinyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[3-(3-bromophenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-yl]thiophene-2-carboxamide Traditional Name: N-[4-[3-(3-bromophenyl)anthranil-5-yl]pyrimidin-2-yl]thiophene-2-carboxamide Formula: C22H13BrN4O2S MolecularWeight: 477.33322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=C3C=C(C=CC3=NO2)C4=NC(=NC=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=C3C=C(C=CC3=NO2)C4=NC(=NC=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C22H13BrN4O2S/c23-15-4-1-3-14(11-15)20-16-12-13(6-7-18(16)27-29-20)17-8-9-24-22(25-17)26-21(28)19-5-2-10-30-19/h1-12H,(H,24,25,26,28)