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

Systemtic Name: N-[[4-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C25H15ClN4O5S MolecularWeight: 518.9284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC=C(C=C3)C4=NC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(O2)C(=O)NC(=S)NC3=CC=C(C=C3)C4=NC5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C25H15ClN4O5S/c26-16-6-9-21-19(13-16)28-24(35-21)14-4-7-17(8-5-14)27-25(36)29-23(31)22-11-10-20(34-22)15-2-1-3-18(12-15)30(32)33/h1-13H,(H2,27,29,31,36)