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

Systemtic Name: 4-butoxy-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(2-methyl-4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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