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

Systemtic Name: N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[(2-chloro-4-nitro-phenyl)carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(2-chloro-4-nitrophenyl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C20H22ClN3O6S MolecularWeight: 467.92318

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O6S/c1-4-28-16-9-12(10-17(29-5-2)18(16)30-6-3)19(25)23-20(31)22-15-8-7-13(24(26)27)11-14(15)21/h7-11H,4-6H2,1-3H3,(H2,22,23,25,31)