4-heptoxy-N-[(2-naphthalen-2-yloxyethanoylamino)carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[(2-naphthalen-2-yloxyethanoylamino)carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[[2-(2-naphthyloxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[[2-(2-naphthalenyloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[[2-(2-naphthoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC3=CC=CC=C3C=C2

InChI

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