3-butoxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-butoxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-butoxy-N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(2-methyl-5-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[(2-methyl-5-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/c1-3-4-10-26-16-7-5-6-14(11-16)18(23)21-19(27)20-17-12-15(22(24)25)9-8-13(17)2/h5-9,11-12H,3-4,10H2,1-2H3,(H2,20,21,23,27)