2-nitro-N-[4-oxidanylbutyl-(phenylmethyl)carbamothioyl]benzamide

Systemtic Name: 2-nitro-N-[4-oxidanylbutyl-(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-[benzyl(4-hydroxybutyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[4-hydroxybutyl-(phenylmethyl)amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[benzyl(4-hydroxybutyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[benzyl(4-hydroxybutyl)thiocarbamoyl]-2-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c23-13-7-6-12-21(14-15-8-2-1-3-9-15)19(27)20-18(24)16-10-4-5-11-17(16)22(25)26/h1-5,8-11,23H,6-7,12-14H2,(H,20,24,27)