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

Systemtic Name: N-[(4-methylphenyl)-(4-oxidanylbutyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[4-hydroxybutyl(p-tolyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[N-(4-hydroxybutyl)-4-methylanilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[4-hydroxybutyl-(4-methylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[4-hydroxybutyl(p-tolyl)thiocarbamoyl]-3-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/c1-14-7-9-16(10-8-14)21(11-2-3-12-23)19(27)20-18(24)15-5-4-6-17(13-15)22(25)26/h4-10,13,23H,2-3,11-12H2,1H3,(H,20,24,27)