N-[(4-butoxyphenyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(4-butoxyphenyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(4-butoxyphenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[(4-butoxyanilino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(4-butoxyphenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(4-butoxyphenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

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