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

Systemtic Name: N-[(2-chloranyl-4-nitro-phenyl)carbamothioyl]-3,5-diethoxy-benzamide Openeye Name: N-[(2-chloro-4-nitro-phenyl)carbamothioyl]-3,5-diethoxy-benzamide CAS Name: N-[(2-chloro-4-nitroanilino)-sulfanylidenemethyl]-3,5-diethoxybenzamide IUPAC Name: N-[(2-chloro-4-nitrophenyl)carbamothioyl]-3,5-diethoxybenzamide Traditional Name: N-[(2-chloro-4-nitro-phenyl)thiocarbamoyl]-3,5-diethoxy-benzamide Formula: C18H18ClN3O5S MolecularWeight: 423.87062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)OCC

InChI

InChI=1S/C18H18ClN3O5S/c1-3-26-13-7-11(8-14(10-13)27-4-2)17(23)21-18(28)20-16-6-5-12(22(24)25)9-15(16)19/h5-10H,3-4H2,1-2H3,(H2,20,21,23,28)