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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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