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

Systemtic Name: 4-nitro-N-[4-oxidanylbutyl-(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-[benzyl(4-hydroxybutyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[4-hydroxybutyl-(phenylmethyl)amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[benzyl(4-hydroxybutyl)carbamothioyl]-4-nitrobenzamide Traditional Name: N-[benzyl(4-hydroxybutyl)thiocarbamoyl]-4-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=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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