3-butoxy-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(2-methoxy-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(2-methoxy-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(2-methoxy-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N3O5S/c1-3-4-10-27-15-7-5-6-13(11-15)18(23)21-19(28)20-16-9-8-14(22(24)25)12-17(16)26-2/h5-9,11-12H,3-4,10H2,1-2H3,(H2,20,21,23,28)