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

Systemtic Name: 2-chloranyl-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-5-methylsulfanyl-benzamide Openeye Name: 2-chloro-N-[(4-ethoxy-2-nitro-phenyl)carbamothioyl]-5-methylsulfanyl-benzamide CAS Name: 2-chloro-N-[(4-ethoxy-2-nitroanilino)-sulfanylidenemethyl]-5-(methylthio)benzamide IUPAC Name: 2-chloro-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-5-methylsulfanylbenzamide Traditional Name: 2-chloro-N-[(4-ethoxy-2-nitro-phenyl)thiocarbamoyl]-5-(methylthio)benzamide Formula: C17H16ClN3O4S2 MolecularWeight: 425.90964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O4S2/c1-3-25-10-4-7-14(15(8-10)21(23)24)19-17(26)20-16(22)12-9-11(27-2)5-6-13(12)18/h4-9H,3H2,1-2H3,(H2,19,20,22,26)