N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(2-ethyl-6-methyl-phenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[(2-ethyl-6-methylanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(2-ethyl-6-methylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(2-ethyl-6-methyl-phenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

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