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

Systemtic Name: N-[[4-[(3-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[4-[[(3-chlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[4-[(3-chlorobenzoyl)amino]phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C23H19ClN4O5S MolecularWeight: 498.93876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H19ClN4O5S/c1-2-33-20-11-6-15(13-19(20)28(31)32)22(30)27-23(34)26-18-9-7-17(8-10-18)25-21(29)14-4-3-5-16(24)12-14/h3-13H,2H2,1H3,(H,25,29)(H2,26,27,30,34)