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

Systemtic Name: 3-butoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-3-4-11-26-15-8-5-7-14(12-15)18(23)21-19(27)20-16-9-6-10-17(13(16)2)22(24)25/h5-10,12H,3-4,11H2,1-2H3,(H2,20,21,23,27)