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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CC=C2OCC(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CC=C2OCC(C)C

InChI

InChI=1S/C19H21N3O4S/c1-12(2)11-26-17-10-5-4-7-14(17)18(23)21-19(27)20-15-8-6-9-16(13(15)3)22(24)25/h4-10,12H,11H2,1-3H3,(H2,20,21,23,27)