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

Systemtic Name: N-[(2-methyl-5-nitro-phenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: 3-isobutoxy-N-[(2-methyl-5-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[(2-methyl-5-nitroanilino)-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[(2-methyl-5-nitrophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: 3-isobutoxy-N-[(2-methyl-5-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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