N-[(3,4-dimethylphenyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(3,4-dimethylphenyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(3,4-dimethylphenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[(3,4-dimethylanilino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(3,4-dimethylphenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(3,4-dimethylphenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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