3-nitro-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide

Systemtic Name: 3-nitro-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Openeye Name: 3-nitro-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide CAS Name: 3-nitro-N-[sulfanylidene-(2,4,6-trimethylanilino)methyl]benzamide IUPAC Name: 3-nitro-N-[(2,4,6-trimethylphenyl)carbamothioyl]benzamide Traditional Name: N-(mesitylthiocarbamoyl)-3-nitro-benzamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O3S/c1-10-7-11(2)15(12(3)8-10)18-17(24)19-16(21)13-5-4-6-14(9-13)20(22)23/h4-9H,1-3H3,(H2,18,19,21,24)