5-(4-chlorophenyl)-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-(4-chlorophenyl)-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(4-chlorophenyl)-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(4-chlorophenyl)-N-[[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(4-chlorophenyl)-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(4-chlorophenyl)-N-[(2-p-phenetyl-1,3-benzoxazol-5-yl)thiocarbamoyl]-2-furamide Formula: C27H20ClN3O4S MolecularWeight: 517.9834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(O4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H20ClN3O4S/c1-2-33-20-10-5-17(6-11-20)26-30-21-15-19(9-12-23(21)35-26)29-27(36)31-25(32)24-14-13-22(34-24)16-3-7-18(28)8-4-16/h3-15H,2H2,1H3,(H2,29,31,32,36)