4-ethoxy-3-nitro-N-[(5-oxidanylnaphthalen-1-yl)carbamothioyl]benzamide

Systemtic Name: 4-ethoxy-3-nitro-N-[(5-oxidanylnaphthalen-1-yl)carbamothioyl]benzamide Openeye Name: 4-ethoxy-N-[(5-hydroxy-1-naphthyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[(5-hydroxy-1-naphthalenyl)amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[(5-hydroxynaphthalen-1-yl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[(5-hydroxy-1-naphthyl)thiocarbamoyl]-3-nitro-benzamide Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC=C3O)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C=CC=C3O)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S/c1-2-28-18-10-9-12(11-16(18)23(26)27)19(25)22-20(29)21-15-7-3-6-14-13(15)5-4-8-17(14)24/h3-11,24H,2H2,1H3,(H2,21,22,25,29)