4-hexoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide

Systemtic Name: 4-hexoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide Openeye Name: 4-hexoxy-N-[[2-(2-naphthyloxy)propanoylamino]carbamothioyl]benzamide CAS Name: 4-hexoxy-N-[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-hexoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide Traditional Name: 4-hexoxy-N-[[2-(2-naphthoxy)propanoylamino]thiocarbamoyl]benzamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C(C)OC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C27H31N3O4S/c1-3-4-5-8-17-33-23-14-12-21(13-15-23)26(32)28-27(35)30-29-25(31)19(2)34-24-16-11-20-9-6-7-10-22(20)18-24/h6-7,9-16,18-19H,3-5,8,17H2,1-2H3,(H,29,31)(H2,28,30,32,35)