N-[(2,5-dimethylphenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(2,5-dimethylphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(2,5-dimethylphenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(2,5-dimethylanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(2,5-dimethylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(2,5-dimethylphenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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