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

Systemtic Name: N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-5-(3-nitrophenyl)-2-furamide Formula: C26H17ClN4O5S MolecularWeight: 532.95498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C4=NC5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=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/C26H17ClN4O5S/c1-14-18(25-28-20-13-16(27)8-9-22(20)36-25)6-3-7-19(14)29-26(37)30-24(32)23-11-10-21(35-23)15-4-2-5-17(12-15)31(33)34/h2-13H,1H3,(H2,29,30,32,37)