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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)CNC(=S)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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