N-[(3-methoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(3-methoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[4-hydroxybutyl-(3-methoxyphenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[N-(4-hydroxybutyl)-3-methoxyanilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[4-hydroxybutyl-(3-methoxyphenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[4-hydroxybutyl-(3-methoxyphenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N(CCCCO)C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N(CCCCO)C(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-27-15-8-6-7-14(13-15)21(11-4-5-12-23)19(28)20-18(24)16-9-2-3-10-17(16)22(25)26/h2-3,6-10,13,23H,4-5,11-12H2,1H3,(H,20,24,28)