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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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