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

Systemtic Name: N-[[4-[(3-chlorophenyl)carbonylamino]phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[4-[[(3-chlorophenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[4-[(3-chlorobenzoyl)amino]phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[4-[(3-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=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

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

InChI

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