N-[(2,2-diphenylethanoylamino)carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: N-[(2,2-diphenylethanoylamino)carbamothioyl]-4-hexoxy-benzamide Openeye Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-4-hexoxy-benzamide CAS Name: 4-hexoxy-N-[[(1-oxo-2,2-diphenylethyl)hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[(2,2-diphenylacetyl)amino]carbamothioyl]-4-hexoxybenzamide Traditional Name: N-[[(2,2-diphenylacetyl)amino]thiocarbamoyl]-4-hexoxy-benzamide Formula: C28H31N3O3S MolecularWeight: 489.62904

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H31N3O3S/c1-2-3-4-11-20-34-24-18-16-23(17-19-24)26(32)29-28(35)31-30-27(33)25(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-10,12-19,25H,2-4,11,20H2,1H3,(H,30,33)(H2,29,31,32,35)