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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C21H14N4O4S MolecularWeight: 418.42526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N4O4S/c26-19(13-5-4-8-16(12-13)25(27)28)24-21(30)22-15-7-3-6-14(11-15)20-23-17-9-1-2-10-18(17)29-20/h1-12H,(H2,22,24,26,30)