N-[[2-(5-chloranylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[2-(5-chloranylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[2-(5-chloro-1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C25H14ClN5O6S MolecularWeight: 547.92656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2Cl)C(=C1)C3=NC4=C(O3)C=CC(=C4)NC(=S)NC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC=C2Cl)C(=C1)C3=NC4=C(O3)C=CC(=C4)NC(=S)NC(=O)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H14ClN5O6S/c26-20-6-2-3-17-18(20)4-1-5-19(17)24-28-21-11-14(7-8-22(21)37-24)27-25(38)29-23(32)13-9-15(30(33)34)12-16(10-13)31(35)36/h1-12H,(H2,27,29,32,38)