N-[(2,6-dimethylphenyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(2,6-dimethylphenyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(2,6-dimethylphenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[(2,6-dimethylanilino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(2,6-dimethylphenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(2,6-dimethylphenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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