N-[naphthalen-1-yl(4-oxidanylbutyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[naphthalen-1-yl(4-oxidanylbutyl)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[4-hydroxybutyl(1-naphthyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[4-hydroxybutyl(1-naphthalenyl)amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[4-hydroxybutyl(naphthalen-1-yl)carbamothioyl]-2-nitrobenzamide Traditional Name: N-[4-hydroxybutyl(1-naphthyl)thiocarbamoyl]-2-nitro-benzamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N(CCCCO)C(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N(CCCCO)C(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O4S/c26-15-6-5-14-24(19-13-7-9-16-8-1-2-10-17(16)19)22(30)23-21(27)18-11-3-4-12-20(18)25(28)29/h1-4,7-13,26H,5-6,14-15H2,(H,23,27,30)