N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[[2-(1-naphthyl)acetyl]amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoyl]-2-nitro-benzamide Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC(=O)NNC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC(=O)NNC(=S)NC(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H16N4O4S/c25-18(12-14-8-5-7-13-6-1-2-9-15(13)14)22-23-20(29)21-19(26)16-10-3-4-11-17(16)24(27)28/h1-11H,12H2,(H,22,25)(H2,21,23,26,29)