3,4,5-triethoxy-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O6S/c1-5-28-17-11-14(12-18(29-6-2)19(17)30-7-3)20(25)23-21(31)22-16-9-8-15(24(26)27)10-13(16)4/h8-12H,5-7H2,1-4H3,(H2,22,23,25,31)