N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[3-(2-benzo[e][1,3]benzoxazolyl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(3-benzo[e][1,3]benzoxazol-2-ylphenyl)thiocarbamoyl]coumarilamide Formula: C27H17N3O3S MolecularWeight: 463.50718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC(=CC=C4)NC(=S)NC(=O)C5=CC6=CC=CC=C6O5

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(O3)C4=CC(=CC=C4)NC(=S)NC(=O)C5=CC6=CC=CC=C6O5

InChI

InChI=1S/C27H17N3O3S/c31-25(23-15-17-7-2-4-11-21(17)32-23)30-27(34)28-19-9-5-8-18(14-19)26-29-24-20-10-3-1-6-16(20)12-13-22(24)33-26/h1-15H,(H2,28,30,31,34)