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

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[[4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[[4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[[4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C27H22N4O6S MolecularWeight: 530.55178

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=C(C=C3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=C(C=C3)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C27H22N4O6S/c32-25(22-16-20(31(34)35)9-10-23(22)30-11-13-36-14-12-30)29-27(38)28-19-7-5-17(6-8-19)21-15-18-3-1-2-4-24(18)37-26(21)33/h1-10,15-16H,11-14H2,(H2,28,29,32,38)