N-[[4-chloranyl-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[[4-chloranyl-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Openeye Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]coumarilamide Formula: C25H18ClN3O3S MolecularWeight: 475.94672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC5=CC=CC=C5O4)Cl

InChI

InChI=1S/C25H18ClN3O3S/c1-2-14-7-10-21-19(11-14)28-24(32-21)17-13-16(8-9-18(17)26)27-25(33)29-23(30)22-12-15-5-3-4-6-20(15)31-22/h3-13H,2H2,1H3,(H2,27,29,30,33)