N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-2-nitro-benzamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-2-nitro-benzamide CAS Name: N-[[[4-(1,3-benzoxazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]-2-nitrobenzamide Traditional Name: N-[[4-(1,3-benzoxazol-2-yl)benzyl]thiocarbamoyl]-2-nitro-benzamide Formula: C22H16N4O4S MolecularWeight: 432.45184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NCC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O4S/c27-20(16-5-1-3-7-18(16)26(28)29)25-22(31)23-13-14-9-11-15(12-10-14)21-24-17-6-2-4-8-19(17)30-21/h1-12H,13H2,(H2,23,25,27,31)