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

Systemtic Name: N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C25H20IN5O5S MolecularWeight: 629.42627

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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=C(C=C5)I)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H20IN5O5S/c26-17-4-1-15(2-5-17)24-28-19-14-18(6-8-22(19)36-24)27-25(37)29-23(32)16-3-7-20(21(13-16)31(33)34)30-9-11-35-12-10-30/h1-8,13-14H,9-12H2,(H2,27,29,32,37)