N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]-3-nitro-benzamide

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