N-[(4-ethoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(4-ethoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(4-ethoxyphenyl)-(4-hydroxybutyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-ethoxy-N-(4-hydroxybutyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4-ethoxyphenyl)-(4-hydroxybutyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[4-hydroxybutyl(p-phenetyl)thiocarbamoyl]-3-nitro-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-2-28-18-10-8-16(9-11-18)22(12-3-4-13-24)20(29)21-19(25)15-6-5-7-17(14-15)23(26)27/h5-11,14,24H,2-4,12-13H2,1H3,(H,21,25,29)