N-[naphthalen-1-yl(4-oxidanylbutyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[naphthalen-1-yl(4-oxidanylbutyl)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[4-hydroxybutyl(1-naphthyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-hydroxybutyl(1-naphthalenyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[4-hydroxybutyl(naphthalen-1-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[4-hydroxybutyl(1-naphthyl)thiocarbamoyl]-3-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/c26-14-4-3-13-24(20-12-6-8-16-7-1-2-11-19(16)20)22(30)23-21(27)17-9-5-10-18(15-17)25(28)29/h1-2,5-12,15,26H,3-4,13-14H2,(H,23,27,30)