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

Systemtic Name: N-[[4-[(2,4-dichlorophenyl)carbonylamino]phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[4-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[4-[[(2,4-dichlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[4-[(2,4-dichlorobenzoyl)amino]phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[4-[(2,4-dichlorobenzoyl)amino]phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C25H21Cl2N5O5S MolecularWeight: 574.43574

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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=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C25H21Cl2N5O5S/c26-16-2-7-19(20(27)14-16)24(34)28-17-3-5-18(6-4-17)29-25(38)30-23(33)15-1-8-21(22(13-15)32(35)36)31-9-11-37-12-10-31/h1-8,13-14H,9-12H2,(H,28,34)(H2,29,30,33,38)