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

Systemtic Name: 3,4,5-triethoxy-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[(2-methoxy-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C21H25N3O7S MolecularWeight: 463.5041

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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-])OC

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S/c1-5-29-17-10-13(11-18(30-6-2)19(17)31-7-3)20(25)23-21(32)22-15-9-8-14(24(26)27)12-16(15)28-4/h8-12H,5-7H2,1-4H3,(H2,22,23,25,32)