N-[(4,5-dimethyl-2-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: N-[(4,5-dimethyl-2-nitro-phenyl)carbamothioyl]benzamide Openeye Name: N-[(4,5-dimethyl-2-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[(4,5-dimethyl-2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: N-[(4,5-dimethyl-2-nitrophenyl)carbamothioyl]benzamide Traditional Name: N-[(4,5-dimethyl-2-nitro-phenyl)thiocarbamoyl]benzamide Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H15N3O3S/c1-10-8-13(14(19(21)22)9-11(10)2)17-16(23)18-15(20)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,18,20,23)