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

Systemtic Name: N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[3-(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)NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C4=NC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

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

InChI

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