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

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-morpholino-3-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[[(2-phenyl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-morpholino-3-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]benzamide Formula: C25H21N5O5S MolecularWeight: 503.52974

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O5S/c31-23(17-6-8-20(21(14-17)30(32)33)29-10-12-34-13-11-29)28-25(36)26-18-7-9-22-19(15-18)27-24(35-22)16-4-2-1-3-5-16/h1-9,14-15H,10-13H2,(H2,26,28,31,36)