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

Systemtic Name: 2-butoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 2-butoxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 2-butoxy-N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-butoxy-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 2-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=C1C(=O)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=C(C(=CC=C2)[N+](=O)[O-])C

InChI

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