N-[[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromoanilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]thiocarbamoyl]coumarilamide Formula: C23H14BrN3O2S2 MolecularWeight: 508.41016

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H14BrN3O2S2/c24-14-9-10-16(15(12-14)22-25-17-6-2-4-8-20(17)31-22)26-23(30)27-21(28)19-11-13-5-1-3-7-18(13)29-19/h1-12H,(H2,26,27,28,30)