N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide

Systemtic Name: N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide Openeye Name: 3-isobutoxy-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]-3-(2-methylpropoxy)benzamide IUPAC Name: N-[(4-methoxy-2-nitrophenyl)carbamothioyl]-3-(2-methylpropoxy)benzamide Traditional Name: 3-isobutoxy-N-[(4-methoxy-2-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-12(2)11-27-15-6-4-5-13(9-15)18(23)21-19(28)20-16-8-7-14(26-3)10-17(16)22(24)25/h4-10,12H,11H2,1-3H3,(H2,20,21,23,28)