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

Systemtic Name: 4-morpholin-4-yl-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-morpholino-N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-N-[[[2-(2-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-morpholin-4-yl-N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-morpholino-N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C29H23N5O5S MolecularWeight: 553.58842

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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=CC6=CC=CC=C6C=C5)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC6=CC=CC=C6C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H23N5O5S/c35-27(20-7-9-24(25(16-20)34(36)37)33-11-13-38-14-12-33)32-29(40)30-22-8-10-26-23(17-22)31-28(39-26)21-6-5-18-3-1-2-4-19(18)15-21/h1-10,15-17H,11-14H2,(H2,30,32,35,40)