N-[(2-butoxyphenyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(2-butoxyphenyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(2-butoxyphenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[(2-butoxyanilino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(2-butoxyphenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(2-butoxyphenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

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