N-[[3-[(2-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[[3-[(2-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[3-[[(2-chlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[3-[(2-chlorobenzoyl)amino]phenyl]thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C22H17ClN4O4S MolecularWeight: 468.91278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN4O4S/c1-13-9-10-14(11-19(13)27(30)31)20(28)26-22(32)25-16-6-4-5-15(12-16)24-21(29)17-7-2-3-8-18(17)23/h2-12H,1H3,(H,24,29)(H2,25,26,28,32)