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

Systemtic Name: N-[(3-methoxyphenyl)-(4-oxidanylbutyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[4-hydroxybutyl-(3-methoxyphenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[N-(4-hydroxybutyl)-3-methoxyanilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[4-hydroxybutyl-(3-methoxyphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[4-hydroxybutyl-(3-methoxyphenyl)thiocarbamoyl]-3-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/c1-27-17-9-5-7-15(13-17)21(10-2-3-11-23)19(28)20-18(24)14-6-4-8-16(12-14)22(25)26/h4-9,12-13,23H,2-3,10-11H2,1H3,(H,20,24,28)