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

Systemtic Name: N-[(3-chloranyl-4-methoxy-phenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(3-chloro-4-methoxy-phenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(3-chloro-4-methoxy-phenyl)thiocarbamoyl]-4-ethoxy-3-nitro-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)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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