3-chloranyl-N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-chloranyl-N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-chloro-N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-chloro-N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-chloro-N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-chloro-N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-4-ethoxy-benzamide Formula: C17H15Cl2N3O4S MolecularWeight: 428.2897

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2C)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2C)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C17H15Cl2N3O4S/c1-3-26-15-5-4-10(7-12(15)19)16(23)21-17(27)20-13-8-11(18)14(22(24)25)6-9(13)2/h4-8H,3H2,1-2H3,(H2,20,21,23,27)