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

Systemtic Name: N-[[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C25H20ClN5O5S MolecularWeight: 537.9748

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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)Cl)[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)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H20ClN5O5S/c26-17-3-1-2-16(12-17)24-28-19-14-18(5-7-22(19)36-24)27-25(37)29-23(32)15-4-6-20(21(13-15)31(33)34)30-8-10-35-11-9-30/h1-7,12-14H,8-11H2,(H2,27,29,32,37)