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

Systemtic Name: 4-heptoxy-N-[(2-naphthalen-1-ylethanoylamino)carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[[2-(1-naphthyl)acetyl]amino]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[[2-(1-naphthalenyl)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[(2-naphthalen-1-ylacetyl)amino]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[[2-(1-naphthyl)acetyl]amino]thiocarbamoyl]benzamide Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C27H31N3O3S/c1-2-3-4-5-8-18-33-23-16-14-21(15-17-23)26(32)28-27(34)30-29-25(31)19-22-12-9-11-20-10-6-7-13-24(20)22/h6-7,9-17H,2-5,8,18-19H2,1H3,(H,29,31)(H2,28,30,32,34)