4-ethoxy-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[[2-(1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C27H20N4O5S MolecularWeight: 512.5365

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C27H20N4O5S/c1-2-35-24-12-10-17(14-22(24)31(33)34)25(32)30-27(37)28-18-11-13-23-21(15-18)29-26(36-23)20-9-5-7-16-6-3-4-8-19(16)20/h3-15H,2H2,1H3,(H2,28,30,32,37)