N-[(3-ethanoylphenyl)carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[(3-ethanoylphenyl)carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[(3-acetylphenyl)carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[(3-acetylanilino)-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[(3-acetylphenyl)carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[(3-acetylphenyl)thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C17H15N3O4S MolecularWeight: 357.3837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O4S/c1-10-14(7-4-8-15(10)20(23)24)16(22)19-17(25)18-13-6-3-5-12(9-13)11(2)21/h3-9H,1-2H3,(H2,18,19,22,25)