3-(2-methylpropoxy)-N-[(4-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 3-(2-methylpropoxy)-N-[(4-nitrophenyl)carbamothioyl]benzamide Openeye Name: 3-isobutoxy-N-[(4-nitrophenyl)carbamothioyl]benzamide CAS Name: 3-(2-methylpropoxy)-N-[(4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-(2-methylpropoxy)-N-[(4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-isobutoxy-N-[(4-nitrophenyl)thiocarbamoyl]benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O4S/c1-12(2)11-25-16-5-3-4-13(10-16)17(22)20-18(26)19-14-6-8-15(9-7-14)21(23)24/h3-10,12H,11H2,1-2H3,(H2,19,20,22,26)