3-chloranyl-4-ethoxy-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-4-ethoxy-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-chloro-4-ethoxy-N-[(4-methoxy-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[(4-methoxy-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[(4-methoxy-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[(4-methoxy-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C17H16ClN3O5S MolecularWeight: 409.84404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClN3O5S/c1-3-26-14-6-4-10(8-12(14)18)16(22)20-17(27)19-11-5-7-15(25-2)13(9-11)21(23)24/h4-9H,3H2,1-2H3,(H2,19,20,22,27)