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

Systemtic Name: N-[[3-[(2-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[3-[[(2-chlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[3-[(2-chlorobenzoyl)amino]phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C25H22ClN5O5S MolecularWeight: 539.99068

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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=CC(=C3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC(=C3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H22ClN5O5S/c26-21-7-2-1-6-19(21)23(32)27-16-4-3-5-17(14-16)28-25(37)29-24(33)20-15-18(31(34)35)8-9-22(20)30-10-12-36-13-11-30/h1-9,14-15H,10-13H2,(H,27,32)(H2,28,29,33,37)