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

Systemtic Name: N-[(4-methylphenyl)-(4-oxidanylbutyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[4-hydroxybutyl(p-tolyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[N-(4-hydroxybutyl)-4-methylanilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[4-hydroxybutyl-(4-methylphenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[4-hydroxybutyl(p-tolyl)thiocarbamoyl]-2-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCCO)C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-14-8-10-15(11-9-14)21(12-4-5-13-23)19(27)20-18(24)16-6-2-3-7-17(16)22(25)26/h2-3,6-11,23H,4-5,12-13H2,1H3,(H,20,24,27)