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

Systemtic Name: 4-ethoxy-3-nitro-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-ethoxy-3-nitro-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C22H17N5O5S MolecularWeight: 463.46588

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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=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O5S/c1-2-31-19-7-5-13(10-17(19)27(29)30)20(28)26-22(33)24-15-6-8-18-16(11-15)25-21(32-18)14-4-3-9-23-12-14/h3-12H,2H2,1H3,(H2,24,26,28,33)