N-[(3-hexoxyphenyl)carbamothioyl]-2,2-diphenyl-ethanamide

Systemtic Name: N-[(3-hexoxyphenyl)carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[(3-hexoxyphenyl)carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[(3-hexoxyanilino)-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[(3-hexoxyphenyl)carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[(3-hexoxyphenyl)thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O2S/c1-2-3-4-11-19-31-24-18-12-17-23(20-24)28-27(32)29-26(30)25(21-13-7-5-8-14-21)22-15-9-6-10-16-22/h5-10,12-18,20,25H,2-4,11,19H2,1H3,(H2,28,29,30,32)