4-butan-2-yloxy-N-[(2-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 4-butan-2-yloxy-N-[(2-nitrophenyl)carbamothioyl]benzamide Openeye Name: N-[(2-nitrophenyl)carbamothioyl]-4-sec-butoxy-benzamide CAS Name: 4-butan-2-yloxy-N-[(2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-butan-2-yloxy-N-[(2-nitrophenyl)carbamothioyl]benzamide Traditional Name: N-[(2-nitrophenyl)thiocarbamoyl]-4-sec-butoxy-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(C)OC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-3-12(2)25-14-10-8-13(9-11-14)17(22)20-18(26)19-15-6-4-5-7-16(15)21(23)24/h4-12H,3H2,1-2H3,(H2,19,20,22,26)