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

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloranyl-phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloroanilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-chloro-phenyl]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=C(C=CC(=C3)C4=NC5=CC=CC=C5O4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=C(C=CC(=C3)C4=NC5=CC=CC=C5O4)Cl)[N+](=O)[O-]

InChI

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