4-heptoxy-N-[(2-phenylethanoylamino)carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[(2-phenylethanoylamino)carbamothioyl]benzamide Openeye Name: 4-heptoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide CAS Name: 4-heptoxy-N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[(2-phenylacetyl)amino]carbamothioyl]benzamide Traditional Name: 4-heptoxy-N-[[(2-phenylacetyl)amino]thiocarbamoyl]benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O3S/c1-2-3-4-5-9-16-29-20-14-12-19(13-15-20)22(28)24-23(30)26-25-21(27)17-18-10-7-6-8-11-18/h6-8,10-15H,2-5,9,16-17H2,1H3,(H,25,27)(H2,24,26,28,30)