2-bromanyl-N-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-nitro-benzamide

Systemtic Name: 2-bromanyl-N-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-nitro-benzamide Openeye Name: 2-bromo-5-nitro-N-[[3-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-5-nitrobenzamide IUPAC Name: 2-bromo-N-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-5-nitrobenzamide Traditional Name: 2-bromo-5-nitro-N-[[3-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C25H21BrN4O4S MolecularWeight: 553.42764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C25H21BrN4O4S/c1-3-14(2)15-7-10-22-21(12-15)28-24(34-22)16-5-4-6-17(11-16)27-25(35)29-23(31)19-13-18(30(32)33)8-9-20(19)26/h4-14H,3H2,1-2H3,(H2,27,29,31,35)